Molecule ID: 42546

IUPAC Name: methyl 2-sulfamoylbenzoate

Description: The molecule is a benzoate ester that is methyl benzoate substituted by a sulfamoyl group at position 2. It is a metabolite of the herbicide metsulfuron-methyl. It has a role as a marine xenobiotic metabolite. It is a benzoate ester, a sulfonamide and a methyl ester.

SMILES: COC(=O)c1ccccc1S(N)(=O)=O

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

InChI: InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: 0.3