N-benzyl[(2-methoxypyridin-3-yl)amino]sulfonamide

• ChemBase ID: 775987
• Molecular Formular: C13H15N3O3S
• Molecular Mass: 293.3415
• Monoisotopic Mass: 293.08341236
• SMILES: S(=O)(=O)(Nc1c(nccc1)OC)NCc1ccccc1
• Canonical SMILES: COc1ncccc1NS(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C13H15N3O3S/c1-19-13-12(8-5-9-14-13)16-20(17,18)15-10-11-6-3-2-4-7-11/h2-9,15-16H,10H2,1H3
• InChIKey: SIQIWAASTDWJAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl[(2-methoxypyridin-3-yl)amino]sulfonamide
• IUPAC Traditional name: N-benzyl[(2-methoxypyridin-3-yl)amino]sulfonamide
• Synonyms: N-benzyl-N'-(2-methoxypyridin-3-yl)sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.601576
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.0572684
• LogD (pH = 7.4): 1.0342153
• Log P: 1.0575936
• Molar Refractivity: 75.645 cm^3
• Polarizability: 30.233582 Å^3
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.01
• LOG S: -3.06
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 4