5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

• ChemBase编号: 148305
• 分子式: C16H17ClN2O4S
• 平均质量: 368.83518
• 单一同位素质量: 368.05975571
• SMILES: COc1ccc(cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)N)Cl
• Canonical SMILES: COc1ccc(cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)N)Cl
• InChI: InChI=1S/C16H17ClN2O4S/c1-23-15-7-4-12(17)10-14(15)16(20)19-9-8-11-2-5-13(6-3-11)24(18,21)22/h2-7,10H,8-9H2,1H3,(H,19,20)(H2,18,21,22)
• InChIKey: KVWWTCSJLGHLRM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
• IUPAC传统名: 5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
• 别名: 4-[2-(5-氯-2-甲氧基苯甲酰氨基)乙基]苯磺酰胺; 5-Chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide; 5-Chloro-2-methoxy-N-(4-sulfamoylphenethyl)benzamide; N-[2-[4-(Aminosulfonyl)phenyl]ethyl]-5-chloro-2-methoxy-benzamide; 5-Chloro-N-(p-sulfamoylphenethyl)-o-anisamide; 4-[2-(2-Methoxy-5-chlorobenzene-1-carboxamido)ethyl]benzenesulfonamide; 4-[2-(5-Chloro-2-methoxybenzamido)ethyl]benzene Sulfonamide

登记号

• CAS号: 16673-34-0
• EC号: 240-722-5
• MDL号: MFCD00193756
• PubChem SID: 162242481; 24870067
• PubChem CID: 85542

理论计算性质

• Acid pKa: 10.223674
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 2.1130934
• LogD (pH = 7.4): 2.1125238
• Log P: 2.1131008
• 摩尔折射率: 92.8266 cm^3
• 极化性: 36.163483 Å^3
• 极化表面积: 98.49 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: Light Yellow Solid
• 熔点: 209-214 °C(lit.); 214-215°C

安全信息

• 保存条件: Refrigerator
• 德国WGK号: 1

产品相关信息

• 纯度: 95%; 95+%
• 线性分子式: ClC6H3(OCH3)CONHCH2C6H4SO2NH2

详细说明

Sigma Aldrich - 463442

包装
5 g in glass bottle

Toronto Research Chemicals - C367895

An impurity arising in the synthesis of Glyburide (G598350).