Molecule ID: 129849887

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

Description: The molecule is a sulfonamide consisting of 4-phenylbutanoic acid with a 4-aminobenzenesulfonamido group at the phenyl 4-position. It has a role as a hapten. It is a sulfonamide and a monocarboxylic acid.

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

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

InChI: InChI=1S/C16H18N2O4S/c17-13-6-10-15(11-7-13)23(21,22)18-14-8-4-12(5-9-14)2-1-3-16(19)20/h4-11,18H,1-3,17H2,(H,19,20)

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: 1.9