Sulfadiazine

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

What is the Sulfadiazine?

The molecule Sulfadiazine presents a molecular formula of C10H10N4O2S and its IUPAC name is 4-amino-N-pyrimidin-2-ylbenzenesulfonamide.

Sulfadiazine is a molecule that contains sulfur and nitrogen. It is used as an antibacterial agent. It is effective against a wide range of bacteria, including those that cause cholera, typhoid fever, and pneumonia. It is also used to treat some types of skin infections..

3D structure

Cartesian coordinates

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

2D drawing

 

Sulfadiazine SEEPANYCNGTZFQ-UHFFFAOYSA-N chemical compound 2D structure molecule svg
Sulfadiazine

 

Molecule descriptors

 
IUPAC name4-amino-N-pyrimidin-2-ylbenzenesulfonamide
InChI codeInChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)
InChI KeySEEPANYCNGTZFQ-UHFFFAOYSA-N
SMILESNc1ccc(S(=O)(=O)Nc2ncccn2)cc1

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.

  • 0N7609K889
  • 141582-64-1
  • 2-(4-Aminobenzenesulfonamido)pyrimidine
  • 2-(4-Aminobenzenesulfonylamino)pyrimidine
  • 2-Sulfanilamido-pyrimidine
  • 2-Sulfanilamidopyrimidin
  • 2-Sulfanilamidopyrimidine
  • 2-Sulfanilylaminopyrimidine
  • 2-Sulfapyrimidine
  • 4-AMINO-N-2-PYRIMIDINYLBENZENESULFONAMIDE
  • 4-Amino-N-(2-pyrimidinyl)benzenesulfonamide
  • 4-Amino-N-(2-pyrimidinyl)benzenesulfonamide #
  • 4-Amino-N-(2-pyrimidinyl)benzenesulfonamide, N1-(Pyrimidin-2-yl)sulfanilamide
  • 4-Amino-N-2-pyrimidinyl-benzenesulfonamide
  • 4-[[(Pyrimidin-2-yl)amino]sulfonyl]aniline
  • 4-amino-N-(2-pyrimidinyl) benzenesulfonamide
  • 4-amino-N-(pyrimidin-2-yl)benzene-1-sulfonamide
  • 4-amino-N-(pyrimidin-2-yl)benzenesulfonamide
  • 4-amino-N-2-pyrimidinyl benzenesulfonamide
  • 4-amino-N-2-pyrimidylbenzenesulfonamide
  • 4-amino-N-pyrimidin-2-yl-benzenesulfonamide
  • 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
  • 68-35-9
  • 68S359
  • A 306
  • A-306
  • A836115
  • AB00052095
  • AB00052095-13
  • AB00052095-14
  • AB00052095_15
  • AB00052095_16
  • AC-26817
  • AI3-01047
  • AMY33423
  • Adiazin
  • Adiazine
  • BBL013169
  • BCP12140
  • BDBM50166571
  • BPBio1_000095
  • BRN 0235192
  • BSPBio_000085
  • BSPBio_002884
  • Benzenesulfonamide, 4-amino-N-(2-pyrimidinyl)-
  • Benzenesulfonamide, 4-amino-N-2-pyrimidinyl-
  • Benzenesulfonamide,4-amino-N-2-pyrimidinyl-
  • C07658
  • CCG-39257
  • CRL-8131 & Sulfadiazine
  • Coco-Diazine
  • CocoDiazine
  • Codiazine
  • Cremodiazine
  • Cremotres
  • D00587
  • D92267
  • DB00359
  • DSSTox_CID_24130
  • DSSTox_GSID_44130
  • DSSTox_RID_80105
  • Debenal
  • Deltazina
  • Di-Azo-Mul
  • Diazin
  • Diazolone
  • Diazovit
  • DivK1c_000543
  • Epitope ID:140083
  • Eskadiazine
  • F1657-1720
  • FT-0674739
  • FT-0674740
  • FT-0674741
  • GLXC-25873
  • HMS1568E07
  • HMS1921A13
  • HMS2090P09
  • HMS2092I15
  • HMS2095E07
  • HMS2235D19
  • HMS3371L19
  • HMS3655I10
  • HMS3712E07
  • HMS501L05
  • HY-B0273
  • Honey diazine
  • IDI1_000543
  • KBio1_000543
  • KBio2_001466
  • KBio2_004034
  • KBio2_006602
  • KBio3_002104
  • KBioGR_000743
  • KBioSS_001466
  • KS-1144
  • LANTRISUL COMPONENT SULFADIAZINE
  • Lipo-Diazine
  • Lipo-Levazine
  • Liquadiazine
  • MFCD00006065
  • MLS000069423
  • MLS006011457
  • Metha-Meridiazine
  • Microsulfon
  • Mixture of sulfadiazine, and sulfamethazine
  • N(1)-2-pyrimidinylsulfanilamide
  • N(1)-2-pyrimidylsulfanilamide
  • N(sup 1)-2-Pyrimidinylsulfanilamide
  • N(sup1)-2-Pyrimidinylsulfanilamide
  • N(sup1)-2-Pyrimidylsulfanilamide
  • N-(2-Pyrimidinyl)sulfanilamide
  • N1-2-Pyrimidinylsulfanilamide
  • N1-2-Pyrimidylsulfanilamide
  • NCGC00016305-01
  • NCGC00016305-02
  • NCGC00016305-03
  • NCGC00016305-04
  • NCGC00016305-05
  • NCGC00016305-06
  • NCGC00016305-09
  • NCGC00016305-10
  • NCGC00016305-11
  • NCGC00023291-03
  • NCGC00023291-04
  • NEOTRIZINE COMPONENT SULFADIAZINE
  • NINDS_000543
  • NSC 35600
  • NSC-35600
  • NSC-757324
  • NSC117870
  • NSC35600
  • NSC757324
  • Neazine
  • Neotrizine
  • Oprea1_081078
  • Palatrize
  • Pecta-diazine, suspension
  • Pharmakon1600-01500546
  • Piridisir
  • Pirimal
  • Prestwick0_000023
  • Prestwick1_000023
  • Prestwick2_000023
  • Prestwick3_000023
  • Prestwick_428
  • Pyrimal
  • Pyrimidine, 2-sulfanilamido-
  • Q-201759
  • Q2555060
  • Quadetts
  • Quadramoid
  • RP 2616
  • RP-2616
  • Recombinant bactericidal/permeability-increasing protein & Sulfadiazine
  • S. N. 112
  • S.N. 112
  • S0579
  • SBI-0051520.P003
  • SDZ
  • SMR000059113
  • SPECTRUM1500546
  • SR-01000002973
  • SR-01000002973-2
  • SR-01000002973-3
  • SSD
  • STK317797
  • SULFADIAZINE (TRISULFAPYRIMIDINES)
  • SULFADIAZINE COMPONENT OF LANTRISUL
  • SULFADIAZINE COMPONENT OF NEOTRIZINE
  • SULFADIAZINE COMPONENT OF SULFALOID
  • SULFADIAZINE COMPONENT OF SULFONAMIDES DUPLEX
  • SULFADIAZINE COMPONENT OF SULFOSE
  • SULFADIAZINE COMPONENT OF TERFONYL
  • SULFADIAZINE COMPONENT OF TRIPLE SULFOID
  • SULFALOID COMPONENT SULFADIAZINE
  • SULFONAMIDES DUPLEX COMPONENT SULFADIAZINE
  • SULFOSE COMPONENT SULFADIAZINE
  • SW196657-3
  • Sanodiazine
  • Sildaflo
  • Silvadene
  • Solfadiazina
  • Spofadrizine
  • Sterazine
  • Sulfadiazene
  • Sulfadiazin
  • Sulfadiazina
  • Sulfadiazina Reig Jofre
  • Sulfadiazine
  • Sulfadiazine (JAN/USP/INN)
  • Sulfadiazine,(S)
  • Sulfadiazinum
  • Sulfanilamide, N(sup 1)-2-pyrimidinyl-
  • Sulfanilamide, N1-2(1H)-pyrimidinylidene-
  • Sulfanilamide, N1-2-pyrimidinyl-
  • Sulfanilamidopyrimidine
  • Sulfapirimidin
  • Sulfapyrimidin
  • Sulfapyrimidine
  • Sulfatryl
  • Sulfazine
  • Sulfolex
  • Sulfonsol
  • Sulfose
  • Sulphadiazine
  • Sulphadiazine E
  • TERFONYL COMPONENT SULFADIAZINE
  • TRIPLE SULFOID COMPONENT SULFADIAZINE
  • TRISULFAPYRIMIDINES (SULFADIAZINE)
  • Terfonyl
  • Theradiazine
  • Thi-Di-Mer
  • Tri-Sulfameth
  • Trifonamide
  • Triple Sulfas
  • Trisem
  • Trisulfapyrimidine, oral suspension
  • Truozine
  • WLN: T6N CNJ BMSWR DZ
  • Z271004844
  • [(4-aminophenyl)sulfonyl]pyrimidin-2-ylamine
  • diazine
  • rBPI21 & Sulfa
  • s1770
  • silver sulfadiazine
  • sulfadiazine

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC120319
  • CAS-68-35-9
  • UNII-0N7609K889
  • AKOS000119073
  • ALBB-014888
  • BRD-K32273377-001-05-4
  • BRD-K32273377-001-09-6
  • DTXSID7044130
  • CHEMBL439
  • CHEBI:9328
  • Tox21_110360
  • EINECS 200-685-8
  • SPBio_001417
  • SPBio_002006
  • SCHEMBL24176
  • Spectrum_000986
  • Spectrum2_001319
  • Spectrum3_001362
  • Spectrum4_000342
  • Spectrum5_000992

Physico-Chemical properties

IUPAC name4-amino-N-pyrimidin-2-ylbenzenesulfonamide
Molecular formulaC10H10N4O2S
Molecular weight250.277
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity63.55
LogP2.6
Topological polar surface area106.4

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

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow 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(Kow) (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.