Molecule ID: 45266901

IUPAC Name: 5-(dimethylamino)-N-[[4-(hydroxyamino)phenyl]methyl]naphthalene-1-sulfonamide

Description: The molecule is a sulfonamide formed by dansylation of 4-hydroxyaminobenzylamine; used as a fluorescence-labelled model hapten. It is a sulfonamide, a member of hydroxylamines and a tertiary amino compound.

SMILES: CN(C)c1cccc2c(S(=O)(=O)NCc3ccc(NO)cc3)cccc12

SELFIES: [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][N][O][C][=C][Ring1][Branch2][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1]

InChI: InChI=1S/C19H21N3O3S/c1-22(2)18-7-3-6-17-16(18)5-4-8-19(17)26(24,25)20-13-14-9-11-15(21-23)12-10-14/h3-12,20-21,23H,13H2,1-2H3

Molecular Properties:
- Polar Surface Area: 90.0 Ų
- LogP: 3.4