What is the molecular formula of Hydrochlorothiazide?

Hydrochlorothiazide has a molecular formula of C 7 H 8 ClN 3 O 4 S 2

What is the InChI Key of Hydrochlorothiazide molecule?

The InChI Key of Hydrochlorothiazide is: JZUFKLXOESDKRF-UHFFFAOYSA-N.

What is the molecular weight of Hydrochlorothiazide?

Hydrochlorothiazide presents a molecular weight of 297.739 g/mol.

Hydrochlorothiazide

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Hydrochlorothiazide are summarized together with 3D and 2D structures and relevant physico-chemical properties.

Table of Contents

1. What is Hydrochlorothiazide?
2. 3D Structure
3. Cartesian coordinates
4. 2D Drawing
5. Molecule descriptors
6. Physico-Chemical properties

What is the Hydrochlorothiazide?

The molecule Hydrochlorothiazide presents a molecular formula of C₇H₈ClN₃O₄S₂ and its IUPAC name is 6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide.

Hydrochlorothiazide is a diuretic medication often used to treat high blood pressure and other fluid retention conditions. The drug works by increasing urine output, which helps to relieve excess fluid from the body. Hydrochlorothiazide exists in both oral and injectable forms..

3D structure

Cartesian coordinates

Geometry of Hydrochlorothiazide in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

Hydrochlorothiazide JZUFKLXOESDKRF-UHFFFAOYSA-N chemical compound 2D structure molecule svg — Hydrochlorothiazide

Molecule descriptors

IUPAC name	6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
InChI code	InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
InChI Key	JZUFKLXOESDKRF-UHFFFAOYSA-N
SMILES	NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

051H765
0J48LPH2TH
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1, 1-dioxide
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide
3,2,4-benzothiadiazine-1,1-dioxide
3,4-Dihydro-6-chloro-7-sulfamyl-1,2,4-benzothiadiazine-1,1-dioxide
3,4-Dihydrochlorothiazide
3,4-dihydro-6-chloro-7-sulfamoyl-1,2,4-benzothiadiazine-1,1-dioxide
58-93-5
6-Chloro-3,2,4-benzothiadiazine 1,1-dioxide
6-Chloro-3,4-dihydro-(2H)-1,2,4-benzothiadiazine-7-sulfonamide 1,1-Dioxide
6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
6-Chloro-3,4-dihydro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
6-Chloro-7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
6-Chloro-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide
6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide
6-chloro-1,1-dioxo-3,4-dihydro-2H-1?^{6},2,4-benzothiadiazine-7-sulfonamide
6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide-1,1-dioxide
6-chloro-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide 1,1-dioxide
8049-49-8
A19550
AB00052012
AB00052012-15
AB00052012_16
AB00052012_17
AC-8114
ACCURETIC COMPONENT HYDROCHLOROTHIAZIDE
AF-614/30832002
ALDACTAZIDE COMPONENT HYDROCHLOROTHIAZIDE
ALDORIL COMPONENT HYDROCHLOROTHIAZIDE
AMTURNIDE COMPONENT HYDROCHLOROTHIAZIDE
APRESAZIDE COMPONENT HYDROCHLOROTHIAZIDE
AVALIDE COMPONENT HYDROCHLOROTHIAZIDE
Acesistem
Acuilix
Acuretic
Aldactazide
Aldactazide 25/25
Aldazida
Aldectazide 50/50
Apo-Hydro
Apresazide
Aquarills
Aquarius
Aquazide
Aquazide H
Aquazide-H
BCP22001
BDBM13076
BENICAR HCT COMPONENT HYDROCHLOROTHIAZIDE
BH164522
BIDD:GT0153
BMCL182567 Compound 6a
BPBio1_000019
BRN 0625101
BSPBio_000017
BSPBio_002132
Bremil
Briazide
C07041
CAM-AP-ES COMPONENT HYDROCHLOROTHIAZIDE
CCG-40240
CCRIS 2082
Caplaril
Carozide
Catiazida
Cidrex
Clorana
Concor Plus
Condiuren
Copalia-hct
Chlorizide
Chlorosulthiadil
Chlorsulfonamidodihydrobenzothiadiazine dioxide
Chlorzide
Chlothia
D00340
DB00999
DIOVAN HCT COMPONENT HYDROCHLOROTHIAZIDE
DSSTox_CID_713
DSSTox_GSID_20713
DSSTox_RID_75752
DUTOPROL COMPONENT HYDROCHLOROTHIAZIDE
DYAZIDE COMPONENT HYDROCHLOROTHIAZIDE
Dafiro-hct
Diaqua
Diclotride
Dichlorosal
Dichlotiazid
Dichlotride
Didral
Dihydran
Dihydrochlorothiazid
Dihydrochlorothiazide
Dihydrochlorothiazidum
Dihydrochlorurit
Dihydrochlorurite
Dihydroxychlorothiazidum
Direma
Disalunil
Disothiazid
Diu 25 Vigt
Diu-melusin
Diurogen
DivK1c_000289
Dixidrasi
Drenol
Dyazide
ESIMIL COMPONENT HYDROCHLOROTHIAZIDE
EU-0100614
EXFORGE HCT COMPONENT HYDROCHLOROTHIAZIDE
Esidrex
Esidrix
Esoidrina
Exforge-hct
Ezide
FT-0650564
Fluvin
GTPL4836
H 4759
H.H. 25/25
H.H. 50/50
H.R.-50 COMPONENT HYDROCHLOROTHIAZIDE
H10742
H1274
HCT
HCT-Isis
HCTZ
HCZ
HH-50/50
HMS1568A19
HMS1920D19
HMS2091L05
HMS2095A19
HMS2235I09
HMS3259O17
HMS3261L10
HMS3370P11
HMS3428A05
HMS3655M21
HMS3712A19
HMS500O11
HMS553N04
HSDB 3096
HY-B0252
HYDRA-ZIDE COMPONENT HYDROCHLOROTHIAZIDE
HYDRAP-ES COMPONENT HYDROCHLOROTHIAZIDE
HYDRO-RESERP COMPONENT HYDROCHLOROTHIAZIDE
HYDRO-RIDE COMPONENT HYDROCHLOROTHIAZIDE
HYDROCHLOROTHIAZDE COMPONENT OF TOULOMI
HYDROCHLOROTHIAZIDE COMPONENT
HYDROCHLOROTHIAZIDE COMPONENT OF ALDACTAZIDE
HYDROCHLOROTHIAZIDE COMPONENT OF ALDORIL
HYDROCHLOROTHIAZIDE COMPONENT OF AMTURNIDE
HYDROCHLOROTHIAZIDE COMPONENT OF APRESAZIDE
HYDROCHLOROTHIAZIDE COMPONENT OF AVALIDE
HYDROCHLOROTHIAZIDE COMPONENT OF BENICAR HCT
HYDROCHLOROTHIAZIDE COMPONENT OF CAM-AP-ES
HYDROCHLOROTHIAZIDE COMPONENT OF DIOVAN HCT
HYDROCHLOROTHIAZIDE COMPONENT OF DUTOPROL
HYDROCHLOROTHIAZIDE COMPONENT OF DYAZIDE
HYDROCHLOROTHIAZIDE COMPONENT OF ESIMIL
HYDROCHLOROTHIAZIDE COMPONENT OF EXFORGE HCT
HYDROCHLOROTHIAZIDE COMPONENT OF H.R.-50
HYDROCHLOROTHIAZIDE COMPONENT OF HYDRA-ZIDE
HYDROCHLOROTHIAZIDE COMPONENT OF HYDRAP-ES
HYDROCHLOROTHIAZIDE COMPONENT OF HYDRO-RIDE
HYDROCHLOROTHIAZIDE COMPONENT OF HYDROPRES
HYDROCHLOROTHIAZIDE COMPONENT OF HYZAAR
HYDROCHLOROTHIAZIDE COMPONENT OF IFIRMACOMBI
HYDROCHLOROTHIAZIDE COMPONENT OF KINZALKOMB
HYDROCHLOROTHIAZIDE COMPONENT OF MAXZIDE
HYDROCHLOROTHIAZIDE COMPONENT OF MODURETIC
HYDROCHLOROTHIAZIDE COMPONENT OF NORMOZIDE
HYDROCHLOROTHIAZIDE COMPONENT OF PRINZIDE
HYDROCHLOROTHIAZIDE COMPONENT OF QUINARETIC
HYDROCHLOROTHIAZIDE COMPONENT OF RASILEZ-HCT
HYDROCHLOROTHIAZIDE COMPONENT OF RASITRIO
HYDROCHLOROTHIAZIDE COMPONENT OF RIPRAZO
HYDROCHLOROTHIAZIDE COMPONENT OF SER-A-GEN
HYDROCHLOROTHIAZIDE COMPONENT OF SER-AP-ES
HYDROCHLOROTHIAZIDE COMPONENT OF SPRIMEO-HCT
HYDROCHLOROTHIAZIDE COMPONENT OF TEVETEN HCT
HYDROCHLOROTHIAZIDE COMPONENT OF TRIBENZOR
HYDROCHLOROTHIAZIDE COMPONENT OF UNIPRES
HYDROCHLOROTHIAZIDE COMPONENT OF UNIRETIC
HYDROCHLOROTHIAZIDE COMPONENT OF VASERETIC
HYDROCHLOROTHIAZIDE COMPONENT OF VISKAZIDE
HYDROCHLOROTHIAZIDE COMPONENT OF ZESTORETIC
HYDROCHLOROTHIAZIDE COMPONENT OF ZIAC
HYDROPRES COMPONENT HYDROCHLOROTHIAZIDE
HYZAAR COMPONENT HYDROCHLOROTHIAZIDE
Hidril
Hidro-Niagrin
Hidroclorotiazida
Hidrochlortiazid
Hidroronol
Hidrosaluretil
Hidrotiazida
Hyclosid
Hydrex-semi
Hydril
Hydro Par
Hydro-Aquil
Hydro-D
Hydro-Diuril
Hydro-Saluric
Hydro-T
HydroDIURIL
HydroPar
Hydrocot
Hydrochlorat
Hydrochloro Thiazide
Hydrochlorot
Hydrochlorothiaizide
Hydrochlorothiazid
Hydrochlorothiazide
Hydrochlorothiazide (JP17/USP/INN)
Hydrochlorothiazide 1.0 mg/ml in Methanol
Hydrochlorothiazide Intensol
Hydrochlorothiazide form II
Hydrochlorothiazidum
Hydrochlorthiazide
Hydrochlorthiazidum
Hydrochlorzide
Hydrodiuretic
Hydrokraft
Hydrosaluric
Hydrothide
Hydrozide
Hydrozide Injection, Veterinary
Hypothiazid
Hypothiazide
Hytrid
IDI1_000289
IFIRMACOMBI COMPONENT HYDROCHLOROTHIAZIDE
Idroclorotiazide
Idrodiuvis
Idrotiazide
Imprida-hct
Inderide
Inderide 80/25
Indroclor
Ivaugan
JFD00715
Jen-Diril
KBio1_000289
KBio2_001357
KBio2_003925
KBio2_006493
KBio3_001352
KBioGR_000351
KBioSS_001357
KERVEZIDE COMPONENT HYDROCHLOROTHIAZIDE
KINZALKOMB COMPONENT HYDROCHLOROTHIAZIDE
LOPRESSO
LOTENSIN HCT COMPONENT HYDROCHLOROTHIAZIDE
LP00614
Lopac-H-4759
Lopac0_000614
Lopressor HCT
Lotensin HCT
MAXZIDE COMPONENT HYDROCHLOROTHIAZIDE
MFCD00051765
MICARDIS HCT COMPONENT HYDROCHLOROTHIAZIDE
MICARDISPLUS COMPONENT HYDROCHLOROTHIAZIDE
MLS000069619
MODURETIC COMPONENT HYDROCHLOROTHIAZIDE
MONOPRIL HCT COMPONENT HYDROCHLOROTHIAZIDE
Manschitt
Manuril
Maschitt
Maxzide
Maybridge1_004336
Mazide 25 mg
Medozide
Megadiuril
Microzide
Mictrin
Mikorten
Modurcen
Moduretic
NC00510
NCGC00015508-01
NCGC00015508-02
NCGC00015508-03
NCGC00015508-04
NCGC00015508-05
NCGC00015508-06
NCGC00015508-07
NCGC00015508-08
NCGC00015508-09
NCGC00015508-10
NCGC00015508-11
NCGC00015508-12
NCGC00015508-13
NCGC00015508-14
NCGC00015508-16
NCGC00015508-17
NCGC00015508-25
NCGC00021906-03
NCGC00021906-04
NCGC00021906-05
NCGC00021906-06
NCGC00021906-07
NCGC00021906-08
NCGC00254017-01
NCGC00259114-01
NCGC00261299-01
NCI-C55925
NCI60_004317
NINDS_000289
NORMOZIDE COMPONENT HYDROCHLOROTHIAZIDE
NSC 53477
NSC-53477
NSC-757059
NSC53477
NSC757059
Natrinax
Nefrix
Nefrol
Neo-Flumen
Neo-Minzil
Neo-codema
Neoflumen
Newtolide
Novodiurex
Opera_ID_168
Oprea1_357174
Oretic
POLYCAP COMPONENT HYDROCHLOROTHIAZIDE
PRINZIDE COMPONENT HYDROCHLOROTHIAZIDE
PRITORPLUS COMPONENT HYDROCHLOROTHIAZIDE
PS-3162
Pantemon
Panurin
Pharmakon1600-01500335
Prestwick0_000009
Prestwick1_000009
Prestwick2_000009
Prestwick3_000009
Prestwick_263
Prinzide
QUINARETIC COMPONENT HYDROCHLOROTHIAZIDE
RASITRIO COMPONENT HYDROCHLOROTHIAZIDE
RIPRAZO COMPONENT HYDROCHLOROTHIAZIDE
Rasilez-hct
Raunova Plus
Ro-hydrazide
SBI-0050596.P004
SDCCGSBI-0050596.P005
SER-A-GEN COMPONENT HYDROCHLOROTHIAZIDE
SER-AP-ES COMPONENT HYDROCHLOROTHIAZIDE
SMR000035778
SPECTRUM1500335
SPRIMEO-HCT COMPONENT HYDROCHLOROTHIAZIDE
SR-01000000119
STK315354
SU-5879
SW196569-3
Saldiuril
Selozide
Ser-Ap-Es
Servithiazid
Spironazide
Su 5879
TEKTURNA HCT COMPONENT HYDROCHLOROTHIAZIDE
TEVETEN HCT COMPONENT HYDROCHLOROTHIAZIDE
TOLUCOMBI COMPONENT HYDROCHLOROTHIAZIDE
TRIBENZOR COMPONENT HYDROCHLOROTHIAZIDE
Tandiur
Thiaretic
Thiazide, hydrochloro-
Thiuretic
Thlaretic
Timolide
UNIPRES COMPONENT HYDROCHLOROTHIAZIDE
UNIRETIC COMPONENT HYDROCHLOROTHIAZIDE
Unazid
Unipres
Urirex
Urodiazin
Urozide
VASERETIC COMPONENT HYDROCHLOROTHIAZIDE
VISKAZIDE COMPONENT HYDROCHLOROTHIAZIDE
Vaseretic
Vetidrex
WLN: T66 BSWM EM DHJ HG ISZW
ZESTORETIC COMPONENT HYDROCHLOROTHIAZIDE
ZIAC COMPONENT HYDROCHLOROTHIAZIDE
Ziac
Zide
cid_3639
component of Aldactazide
component of Aldoril
component of Butizide Prestabs
component of Caplaril
component of Cyclex
component of Dyazide
component of Esimil
hydrochlorothiazide
s1708

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:

CAS number (Chemical Abstracts Service Registry Number) is a unique identifier is assigned to every chemical compound indexed in the CAS database.
Beilstein: The Beilstein database is a comprehensive source of information on organic chemistry, including information on chemical structures, properties, and reactions. The Beilstein database assigns unique identifiers which can be used to identify compounds in scientific literature and other sources.
ChEBI (Chemical Entities of Biological Interest): ChEBI is a database of small chemical molecules that are of interest in the field of biology.
PubChem CID (Compound Identifier): PubChem is a database of chemical compounds that is maintained by the National Institutes of Health (NIH).
RTECS number (Registry of Toxic Effects of Chemical Substances): The RTECS is a database of information on the toxic effects of chemicals, including information on their structures and properties.
ChEMBL (Compound Bioactivity Data): ChEMBL is a database of bioactivity data for small molecules, including information on their properties and structures.
CompTox Dashboard (Environmental Protection Agency): The CompTox Dashboard is a database of information on the toxicology and environmental effects of chemicals.

ZINC896569
CAS-58-93-5
UNII-0J48LPH2TH
AKOS000121373
DTXSID2020713
CHEMBL435
CHEBI:5778
Tox21_110165
Tox21_201565
Tox21_300292
Tox21_500614
Tox21_110165_1
EINECS 200-403-3
SPBio_001259
SPBio_001938
SCHEMBL9349
Spectrum_000877
Spectrum2_001040
Spectrum3_000456
Spectrum4_000006
Spectrum5_000824

Physico-Chemical properties

IUPAC name	6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Molecular formula	C₇H₈ClN₃O₄S₂
Molecular weight	297.739
Melting point (ºC)
Boiling point (ºC)
Density (g/cm³)
Molar refractivity	67.58
LogP	3.0
Topological polar surface area	135.1

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (K_ow) data is applied in toxicology and drug research. K_ow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(K_ow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å² are required. Thus, molecules with a polar surface area greater than 140 Å² tend to be poorly permeable to cell membranes.