Molecule ID: 80635

IUPAC Name: 4-[(4-aminophenyl)sulfonylamino]benzoic acid

Description: The molecule 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 sulfonamide and a member of benzoic acids. It derives from a sulfanilamide.

SMILES: Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1

SELFIES: [N][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1]

InChI: InChI=1S/C13H12N2O4S/c14-10-3-7-12(8-4-10)20(18,19)15-11-5-1-9(2-6-11)13(16)17/h1-8,15H,14H2,(H,16,17)

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: 1.6