Molecule ID: 4299

IUPAC Name: N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide

Description: The molecule is a sulfonamide that is 5-chloronaphthalene-2-sulfonamide in which one of the hydrogens of the nitrogen atom is substituted by a 4-aminobutyl group. It is a sulfonamide, an organochlorine compound, a member of naphthalenes and a primary amino compound. It is a conjugate base of a N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide(1+).

SMILES: NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1

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

InChI: InChI=1S/C14H17ClN2O2S/c15-14-5-3-4-11-10-12(6-7-13(11)14)20(18,19)17-9-2-1-8-16/h3-7,10,17H,1-2,8-9,16H2

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 2.5