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

• ChemBase编号: 314917
• 分子式: C14H16N4O3S
• 平均质量: 320.36684
• 单一同位素质量: 320.09431139
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1ccc(S(=O)(=O)N)cc1
• Canonical SMILES: O=C(c1ccc(cc1)S(=O)(=O)N)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C14H16N4O3S/c15-22(20,21)11-6-4-10(5-7-11)14(19)17-13-9-16-12-3-1-2-8-18(12)13/h4-7,9H,1-3,8H2,(H,17,19)(H2,15,20,21)
• InChIKey: MVZBLGIGSWBGGM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-sulfamoylbenzamide
• IUPAC传统名: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-sulfamoylbenzamide
• 别名: 4-(aminosulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide

理论计算性质

Provided by Chembridge

• LOG S: -1.85
• 极化表面积: 107.08 Å^2
• 可自由旋转的化学键: 3
• 质子受体: 4
• 质子供体: 2
• Log P: 0.37

JChem

• 摩尔折射率: 82.7912 cm^3
• 极化性: 31.574522 Å^3
• 极化表面积: 107.08 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true
• Acid pKa: 9.84184
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -0.005516495
• LogD (pH = 7.4): 0.63018656
• Log P: 0.66029483