N-benzyl({4-[2-(pyridin-2-yl)ethyl]phenyl}amino)sulfonamide

• ChemBase ID: 348517
• Molecular Formular: C20H21N3O2S
• Molecular Mass: 367.46464
• Monoisotopic Mass: 367.13544793
• SMILES: S(=O)(=O)(Nc1ccc(CCc2ncccc2)cc1)NCc1ccccc1
• Canonical SMILES: O=S(=O)(Nc1ccc(cc1)CCc1ccccn1)NCc1ccccc1
• InChI: InChI=1S/C20H21N3O2S/c24-26(25,22-16-18-6-2-1-3-7-18)23-20-13-10-17(11-14-20)9-12-19-8-4-5-15-21-19/h1-8,10-11,13-15,22-23H,9,12,16H2
• InChIKey: KDTPRUWMFMZABW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl({4-[2-(pyridin-2-yl)ethyl]phenyl}amino)sulfonamide
• IUPAC Traditional name: N-benzyl({4-[2-(pyridin-2-yl)ethyl]phenyl}amino)sulfonamide
• Synonyms: N-benzyl-N'-[4-(2-pyridin-2-ylethyl)phenyl]sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.4066
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.7033985
• LogD (pH = 7.4): 3.0243325
• Log P: 3.031086
• Molar Refractivity: 102.7827 cm^3
• Polarizability: 40.815754 Å^3
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.39
• LOG S: -3.47
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 6