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

• ChemBase ID: 439227
• Molecular Formular: C16H20N4O3S
• Molecular Mass: 348.42
• Monoisotopic Mass: 348.12561152
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1ccc(NS(=O)(=O)CC)cc1
• Canonical SMILES: CCS(=O)(=O)Nc1ccc(cc1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C16H20N4O3S/c1-2-24(22,23)19-13-8-6-12(7-9-13)16(21)18-15-11-17-14-5-3-4-10-20(14)15/h6-9,11,19H,2-5,10H2,1H3,(H,18,21)
• InChIKey: GVMXZXSQSNAXJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.922211
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.27032155
• LogD (pH = 7.4): 0.8962971
• Log P: 0.9364004
• Molar Refractivity: 92.1889 cm^3
• Polarizability: 35.26623 Å^3
• Polar Surface Area: 93.09 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: 1.51
• LOG S: -3.03
• Polar Surface Area: 93.09 Å^2
• Rotatable Bonds: 4