Sulfisoxazole acetyl

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

What is the Sulfisoxazole acetyl?

The molecule Sulfisoxazole acetyl presents a molecular formula of C13H15N3O4S and its IUPAC name is N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide.

Sulfisoxazole acetyl is a molecule that is used as an antibacterial drug. It is a synthetic sulfonamide derivative, and is structurally similar to other sulfonamides such as sulfacetamide and sulfamethoxazole. Sulfisoxazole acetyl is used to treat bacterial infections of the ear, nose, and throat. It is also used to treat urinary tract infections and bronchitis..

3D structure

Cartesian coordinates

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

2D drawing

 

Sulfisoxazole acetyl JFNWFXVFBDDWCX-UHFFFAOYSA-N chemical compound 2D structure molecule svg
Sulfisoxazole acetyl

 

Molecule descriptors

 
IUPAC nameN-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide
InChI codeInChI=1S/C13H15N3O4S/c1-8-9(2)15-20-13(8)16(10(3)17)21(18,19)12-6-4-11(14)5-7-12/h4-7H,14H2,1-3H3
InChI KeyJFNWFXVFBDDWCX-UHFFFAOYSA-N
SMILESCC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)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.

  • 80-74-0
  • A915833
  • ACETYL SULFISOXAZOLE
  • AMY37432
  • Acetamide, N-((4-aminophenyl)sulfonyl)-N-(3,4-dimethyl-5-isoxazolyl)-
  • Acetamide, N-(3,4-dimethyl-5-isoxazolyl)-N-sulfanilyl-
  • Acetamide, N-[(4-aminophenyl)sulfonyl]-N-(3,4-dimethyl-5-isoxazolyl)-
  • Acetyl sulfafurazole
  • Acetylgantrisin
  • Acetylsulfisoxazole
  • Acetylsulfisoxazole (JAN)
  • B4954
  • CS-0030871
  • D05956
  • DB14033
  • DSSTox_CID_3620
  • DSSTox_GSID_23620
  • DSSTox_RID_97551
  • ERYZOLE COMPONENT SULFISOXAZOLE ACETYL
  • HY-107923
  • ILOSONE SULFA COMPONENT SULFISOXAZOLE ACETYL
  • Lipo Gantrisin
  • MFCD00072139
  • N-((4-Aminophenyl)sulfonyl)-N-(3,4-dimethylisoxazol-5-yl)acetamide
  • N-(3,4-Dimethyl-5-isoxazolyl)-N-sulfanilylacetamide
  • N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide
  • N-(4-aminophenyl)sulfonyl-N-(3,4-dimethylisoxazol-5-yl)acetamide
  • N-3,4-DIMETHYLISOXAZOL-5-YL-N-SULFANILYLACETAMIDE
  • N-3,4-Dimethylisoxazol-5-yl-N-sulphanilylacetamide
  • N-Acetyl-4-amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide #
  • N-[(4-Aminophenyl)sulfonyl]-N-(3,4-dimethyl-5-isoxazolyl)acetamide
  • N-[(4-aminophenyl)sulfonyl]-N-(3,4-dimethyl-5- isoxazolyl)acetamide
  • N-[(4-aminophenyl)sulfonyl]-N-(3,4-dimethylisoxazol-5-yl)acetamide
  • NCGC00249884-01
  • NSC 759138
  • NSC-759138
  • PEDIAZOLE COMPONENT SULFISOXAZOLE ACETYL
  • Q27292550
  • SULFISOXAZOLE ACETYL COMPONENT OF ERYZOLE
  • SULFISOXAZOLE ACETYL COMPONENT OF ILOSONE SULFA
  • SULFISOXAZOLE ACETYL COMPONENT OF PEDIAZOLE
  • SULFISOXAZOLEACETYL(200MG)
  • Sulfafurazole acetyl
  • Sulfisoxazole acetal
  • Sulfisoxazole acetyl
  • Sulfisoxizole acetyl
  • WBT5QH3KED
  • acetylsulfafurazole
  • sulfisoxazole-acetyl

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC2114
  • CAS-80-74-0
  • UNII-WBT5QH3KED
  • DTXSID4023620
  • CHEMBL1200910
  • CHEBI:135975
  • Tox21_113660
  • EINECS 201-305-3
  • SCHEMBL41727

Physico-Chemical properties

IUPAC nameN-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide
Molecular formulaC13H15N3O4S
Molecular weight309.341
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity77.86
LogP3.3
Topological polar surface area114.9

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.