4-(((4-Aminophenyl)sulfonyl)amino)benzoic acid
Basic information
- CAS
6336-70-5- Standard SMILES
Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1- InChIKey
WNLOVPITXSWKEZ-UHFFFAOYSA-N- Molecular formula
- C13H12N2O4S
- Average molar mass
- 292.31 g/mol
- Monoisotopic mass
- 292.05177804
Overview
4-sulfanilamidobenzoic acid is a sulfonamide that is sulfanilamide substituted at the sulfonamide nitrogen by a 4-carboxyphenyl group. It has a role as an allergen. It is a member of benzoic acids and a sulfonamide. It is functionally related to a sulfanilamide.
Names & identifiers
- Preferred name
- 4-(((4-Aminophenyl)sulfonyl)amino)benzoic acid
- IUPAC
- 4-[(4-aminophenyl)sulfonylamino]benzoic acid
- English name
- 4-sulphanilamidobenzoic acid
- Molecular formula
- C13H12N2O4S
- Molecular weight
- 292.31
Names & synonyms
4-Sulfanilamidobenzoic acid6336-70-54-{[(4-aminophenyl)sulfonyl]amino}benzoic acidBenzoic acid, p-sulfanilamido-N6R6Y6V2G7CHEBI:53237NSC-39345Benzoic acid, 4-(((4-aminophenyl)sulfonyl)amino)-DTXSID902127564-(((4-aminophenyl)sulfonyl)amino)benzoic acid4-[[(4-Aminophenyl)sulfonyl]amino]benzoic acidRefChem:100485
Show more names
4-(4-Aminophenylsulfonylamino)benzoic acid4-[(4-Aminophenyl)sulfonylamino]benzoic acidBenzoic acid, 4-[[(4-aminophenyl)sulfonyl]amino]-4-[(4-aminobenzene)sulfonamido]benzoic acid - [AC80662]
DTXCID20135247228-720-24-Sulphanilamidobenzoic acidp-Sulfanilamidobenzoic acid4-SABA4-sulphanilamide benzoic acid4-((4-Aminophenyl)sulfonamido)benzoic acidNSC39345
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 430
Physicochemical properties
- FDA UNII
- 6 R6Y6V2G7 · N6R6Y6V2G7
Chemistry & industry
Additional notes
DefinitionChEBI: A sulfonamide that is sulfanilamide substituted at the sulfonamide nitrogen by a 4-carboxyphenyl group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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