N,N-dimethyl-3-[methyl(oxan-2-ylmethyl)sulfamoyl]benzamide

• ChemBase编号: 655641
• 分子式: C16H24N2O4S
• 平均质量: 340.43776
• 单一同位素质量: 340.14567826
• SMILES: S(=O)(=O)(N(CC1OCCCC1)C)c1cc(C(=O)N(C)C)ccc1
• Canonical SMILES: CN(C(=O)c1cccc(c1)S(=O)(=O)N(CC1CCCCO1)C)C
• InChI: InChI=1S/C16H24N2O4S/c1-17(2)16(19)13-7-6-9-15(11-13)23(20,21)18(3)12-14-8-4-5-10-22-14/h6-7,9,11,14H,4-5,8,10,12H2,1-3H3
• InChIKey: QKUOQBNLINIGBZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-3-[methyl(oxan-2-ylmethyl)sulfamoyl]benzamide
• IUPAC传统名: N,N-dimethyl-3-[methyl(oxan-2-ylmethyl)sulfamoyl]benzamide
• 别名: N,N-dimethyl-3-{[methyl(tetrahydro-2H-pyran-2-ylmethyl)amino]sulfonyl}benzamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.1877787
• LogD (pH = 7.4): 1.1877788
• Log P: 1.1877788
• 摩尔折射率: 89.7368 cm^3
• 极化性: 35.01142 Å^3
• 极化表面积: 66.92 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 0.67
• LOG S: -2.25
• 极化表面积: 66.92 Å^2
• 可自由旋转的化学键: 4