Molecule ID: 5505

IUPAC Name: 1-butyl-3-(4-methylphenyl)sulfonylurea

Description: The molecule is an N-sulfonylurea that consists of 1-butylurea having a tosyl group attached at the 3-position. It has a role as a hypoglycemic agent, a potassium channel blocker, a human metabolite and an insulin secretagogue.

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

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

InChI: InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)

Molecular Properties:
- Polar Surface Area: 83.6 Ų
- LogP: 2.3