N,N-dimethyl-3-[(3-phenylpiperidin-1-yl)sulfonyl]benzamide

• ChemBase编号: 490340
• 分子式: C20H24N2O3S
• 平均质量: 372.48116
• 单一同位素质量: 372.15076364
• SMILES: S(=O)(=O)(N1CC(c2ccccc2)CCC1)c1cc(C(=O)N(C)C)ccc1
• Canonical SMILES: CN(C(=O)c1cccc(c1)S(=O)(=O)N1CCCC(C1)c1ccccc1)C
• InChI: InChI=1S/C20H24N2O3S/c1-21(2)20(23)17-10-6-12-19(14-17)26(24,25)22-13-7-11-18(15-22)16-8-4-3-5-9-16/h3-6,8-10,12,14,18H,7,11,13,15H2,1-2H3
• InChIKey: GQNNVNQOTPAJEW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-3-[(3-phenylpiperidin-1-yl)sulfonyl]benzamide
• IUPAC传统名: N,N-dimethyl-3-(3-phenylpiperidin-1-ylsulfonyl)benzamide
• 别名: N,N-dimethyl-3-[(3-phenylpiperidin-1-yl)sulfonyl]benzamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.673764
• LogD (pH = 7.4): 2.673764
• Log P: 2.673764
• 摩尔折射率: 103.5897 cm^3
• 极化性: 40.186428 Å^3
• 极化表面积: 57.69 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.58
• LOG S: -4.12
• 极化表面积: 57.69 Å^2
• 可自由旋转的化学键: 3