Molecule ID: 3656

IUPAC Name: 1-butyl-3-[4-(hydroxymethyl)phenyl]sulfonylurea

Description: The molecule is a urea that consists of 1-butylurea having a 4-hydroxymethylbenzenesulfonyl group attached at the 3-position. It has a role as a metabolite. It is a sulfonamide, a member of ureas and a member of benzyl alcohols.

SMILES: CCCCN=C(O)NS(=O)(=O)c1ccc(CO)cc1

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

InChI: InChI=1S/C12H18N2O4S/c1-2-3-8-13-12(16)14-19(17,18)11-6-4-10(9-15)5-7-11/h4-7,15H,2-3,8-9H2,1H3,(H2,13,14,16)

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 1.1