N-benzyl-4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}benzene-1-sulfonamide

• ChemBase ID: 418835
• Molecular Formular: C19H20N4O2S
• Molecular Mass: 368.4527
• Monoisotopic Mass: 368.1306969
• SMILES: S(=O)(=O)(NCc1ccccc1)c1ccc(c2nc3c([nH]2)CCNC3)cc1
• Canonical SMILES: O=S(=O)(c1ccc(cc1)c1nc2c([nH]1)CCNC2)NCc1ccccc1
• InChI: InChI=1S/C19H20N4O2S/c24-26(25,21-12-14-4-2-1-3-5-14)16-8-6-15(7-9-16)19-22-17-10-11-20-13-18(17)23-19/h1-9,20-21H,10-13H2,(H,22,23)
• InChIKey: UWIYAWWULNGORD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}benzene-1-sulfonamide
• IUPAC Traditional name: N-benzyl-4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}benzenesulfonamide
• Synonyms: N-benzyl-4-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)benzenesulfonamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 2.05
• LOG S: -2.63
• Polar Surface Area: 86.88 Å^2
• Rotatable Bonds: 4

JChem

• H Donor: 3
• LogD (pH = 5.5): -0.75554025
• LogD (pH = 7.4): 0.97006404
• Log P: 1.7124969
• Molar Refractivity: 111.8049 cm^3
• Polarizability: 40.35174 Å^3
• Polar Surface Area: 86.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 10.0506115
• H Acceptors: 4