4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-N-propylbenzene-1-sulfonamide

• ChemBase ID: 697862
• Molecular Formular: C16H20N4O3S
• Molecular Mass: 348.42
• Monoisotopic Mass: 348.12561152
• SMILES: S(=O)(=O)(c1ccc(C(=O)N2Cc3c([nH]cn3)CC2)cc1)NCCC
• Canonical SMILES: CCCNS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2c(C1)nc[nH]2
• InChI: InChI=1S/C16H20N4O3S/c1-2-8-19-24(22,23)13-5-3-12(4-6-13)16(21)20-9-7-14-15(10-20)18-11-17-14/h3-6,11,19H,2,7-10H2,1H3,(H,17,18)
• InChIKey: CAJRICREVLBPII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-N-propylbenzene-1-sulfonamide
• IUPAC Traditional name: 4-{1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-N-propylbenzenesulfonamide
• Synonyms: N-propyl-4-(1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-ylcarbonyl)benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.888902
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.13225524
• LogD (pH = 7.4): 0.38103315
• Log P: 0.39893857
• Molar Refractivity: 91.5997 cm^3
• Polarizability: 35.207294 Å^3
• Polar Surface Area: 95.16 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: 0.21
• LOG S: -3.23
• Polar Surface Area: 95.16 Å^2
• Rotatable Bonds: 4