Molecule ID: 1125790

IUPAC Name: 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide

Description: The molecule is a sulfonamide obtained by formal condensation of the sulfo group of 4-bromonaphthalene-1-sulfonic acid with the exocyclic amino group of 2-pyridylmethylamine. Mimics the action of the abscisic acid, a phytohormone. It has a role as a hormone, a plant growth regulator and an abscisic acid receptor agonist. It is a sulfonamide, a member of pyridines, a member of naphthalenes and an organobromine compound.

SMILES: O=S(=O)(NCc1ccccn1)c1ccc(Br)c2ccccc12

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

InChI: InChI=1S/C16H13BrN2O2S/c17-15-8-9-16(14-7-2-1-6-13(14)15)22(20,21)19-11-12-5-3-4-10-18-12/h1-10,19H,11H2

Molecular Properties:
- Polar Surface Area: 67.4 Ų
- LogP: 3.3