N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-(propylsulfamoyl)benzamide

• ChemBase ID: 579259
• Molecular Formular: C17H22N4O3S
• Molecular Mass: 362.44658
• Monoisotopic Mass: 362.14126158
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1ccc(S(=O)(=O)NCCC)cc1
• Canonical SMILES: CCCNS(=O)(=O)c1ccc(cc1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C17H22N4O3S/c1-2-10-19-25(23,24)14-8-6-13(7-9-14)17(22)20-16-12-18-15-5-3-4-11-21(15)16/h6-9,12,19H,2-5,10-11H2,1H3,(H,20,22)
• InChIKey: HPTDTCLOLVHWEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-(propylsulfamoyl)benzamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-(propylsulfamoyl)benzamide
• Synonyms: 4-[(propylamino)sulfonyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.790138
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0974882
• LogD (pH = 7.4): 1.7330168
• Log P: 1.7633013
• Molar Refractivity: 96.9605 cm^3
• Polarizability: 37.069126 Å^3
• Polar Surface Area: 93.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.08
• LOG S: -3.62
• Polar Surface Area: 93.09 Å^2
• Rotatable Bonds: 5