N,N-dimethyl-3-[methyl(oxan-4-yl)sulfamoyl]benzamide

• ChemBase编号: 559034
• 分子式: C15H22N2O4S
• 平均质量: 326.41118
• 单一同位素质量: 326.13002819
• SMILES: S(=O)(=O)(N(C1CCOCC1)C)c1cc(C(=O)N(C)C)ccc1
• Canonical SMILES: CN(C(=O)c1cccc(c1)S(=O)(=O)N(C1CCOCC1)C)C
• InChI: InChI=1S/C15H22N2O4S/c1-16(2)15(18)12-5-4-6-14(11-12)22(19,20)17(3)13-7-9-21-10-8-13/h4-6,11,13H,7-10H2,1-3H3
• InChIKey: IRPULNHLXSWSBJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-3-[methyl(oxan-4-yl)sulfamoyl]benzamide
• IUPAC传统名: N,N-dimethyl-3-[methyl(oxan-4-yl)sulfamoyl]benzamide
• 别名: N,N-dimethyl-3-{[methyl(tetrahydro-2H-pyran-4-yl)amino]sulfonyl}benzamide

理论计算性质

Provided by Chembridge

• 质子供体: 0
• Log P: 0.29
• LOG S: -3.14
• 极化表面积: 66.92 Å^2
• 可自由旋转的化学键: 3
• 质子受体: 4

JChem

• LogD (pH = 5.5): 0.28580713
• LogD (pH = 7.4): 0.28580725
• Log P: 0.28580725
• 摩尔折射率: 85.3566 cm^3
• 极化性: 33.179058 Å^3
• 极化表面积: 66.92 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true
• 质子受体: 4
• 质子供体: 0