Molecule ID: 45266902

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

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

SMILES: CN(C)c1cccc2c(S(=O)(=O)NCc3ccc(N)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][C][N][C][=C][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C]

InChI: InChI=1S/C19H21N3O2S/c1-22(2)18-7-3-6-17-16(18)5-4-8-19(17)25(23,24)21-13-14-9-11-15(20)12-10-14/h3-12,21H,13,20H2,1-2H3

Molecular Properties:
- Polar Surface Area: 83.8 Ų
- LogP: 3.2