2-[N-(4-chlorophenyl)carbamoyl]benzenesulfonamide | 1160850-64-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[N-(4-chlorophenyl)carbamoyl]benzenesulfonamide
• 英文别名: N-(4-chlorophenyl)-2-sulfamoylbenzamide
• CAS: 1160850-64-5
• 化学式: C₁₃H₁₁ClN₂O₃S
• 分子量: 310.761
• InChiKey: JRRDOLSWSZIMHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  97.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对氯苯胺 、 糖精 以78%的产率得到2-[N-(4-chlorophenyl)carbamoyl]benzenesulfonamide
  参考文献：
  名称：

  2-[N-(X-Chlorophenyl)carbamoyl]benzenesulfonamide (withX= 2 and 4)

  摘要：

  The structures of 2-[N-(2-chlorophenyl) carbamoyl] benzenesulfonamide and 2-[N-(4-chlorophenyl) carbamoyl] benzenesulfonamide, both C13H11ClN2O3S, are stabilized by extensive intra- and intermolecular hydrogen bonds. In both structures, sulfonamide groups are hydrogen bonded via the N and O atoms and form chains of molecules. The carbamoyl groups are also hydrogen bonded, involving the O and N atoms, further strengthening the polymeric chains running along the c and a axes in the 2- and 4-chloro derivatives, respectively. Carbamoylsulfonamide derivatives are novel compounds with a great potential for medicinal applications.

  DOI：

  10.1107/s0108270108009530