Molecule ID: 12382693

IUPAC Name: 6-[(4-aminophenyl)sulfonylamino]hexanoic acid

Description: The molecule is a sulfonamide consisting of hexanoic acid with a 4-aminobenzenesulfonamido group at its 6-position. It has a role as a hapten. It is a monocarboxylic acid and a sulfonamide.

SMILES: Nc1ccc(S(=O)(=O)NCCCCCC(=O)O)cc1

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

InChI: InChI=1S/C12H18N2O4S/c13-10-5-7-11(8-6-10)19(17,18)14-9-3-1-2-4-12(15)16/h5-8,14H,1-4,9,13H2,(H,15,16)

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: 0.8