Molecule ID: 16212225

IUPAC Name: 2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethanesulfonic acid

Description: The molecule is an organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (4-fluorophenyl)(propan-2-yl)amino group at position 2. It is metabolite of the herbicide flufenacet. It has a role as a marine xenobiotic metabolite. It is a member of monofluorobenzenes, an organosulfonic acid and an aromatic amide.

SMILES: CC(C)N(C(=O)CS(=O)(=O)O)c1ccc(F)cc1

SELFIES: [C][C][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C11H14FNO4S/c1-8(2)13(11(14)7-18(15,16)17)10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H,15,16,17)

Molecular Properties:
- Polar Surface Area: 83.1 Ų
- LogP: 1.1