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

• ChemBase ID: 452247
• Molecular Formular: C15H17N3O3S
• Molecular Mass: 319.37878
• Monoisotopic Mass: 319.09906242
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1ccc(S(=O)(=O)C)cc1
• Canonical SMILES: O=C(c1ccc(cc1)S(=O)(=O)C)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C15H17N3O3S/c1-22(20,21)12-7-5-11(6-8-12)15(19)17-14-10-16-13-4-2-3-9-18(13)14/h5-8,10H,2-4,9H2,1H3,(H,17,19)
• InChIKey: NXLQUOXQHVVWQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.516444
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.22876917
• LogD (pH = 7.4): 0.86584616
• Log P: 0.89457256
• Molar Refractivity: 84.6369 cm^3
• Polarizability: 32.25156 Å^3
• Polar Surface Area: 81.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.54
• LOG S: -1.99
• Polar Surface Area: 81.06 Å^2
• Rotatable Bonds: 3