1-(4-chloro-3-sulfamoylphenyl)piperazine | 145389-83-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(4-chloro-3-sulfamoylphenyl)piperazine
• 英文别名: 2-Chloro-5-piperazin-1-ylbenzenesulfonamide
• CAS: 145389-83-9
• 化学式: C₁₀H₁₄ClN₃O₂S
• 分子量: 275.759
• InChiKey: XMQUJDALNVBNRC-UHFFFAOYSA-N

物化性质

• 沸点：
  513.8±60.0 °C(Predicted)
• 密度：
  1.388±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(1-萘氧基)-1,2-环氧丙烷 、 1-(4-chloro-3-sulfamoylphenyl)piperazine 以 乙醇 为溶剂， 反应 8.0h， 以73%的产率得到2-Chloro-5-{4-[2-hydroxy-3-(naphthalen-1-yloxy)-propyl]-piperazin-1-yl}-benzenesulfonamide
  参考文献：
  名称：

  o-Chlorobenzenesulfonamidic derivatives of (aryloxy)propanolamines as .beta.-blocking/diuretic agents

  摘要：

  A series of compounds 1b-f, 2b-f, and 3b-f having an o-chlorobenzenesulfonamidic diuretic moiety variously linked to the nitrogen side chain of the beta-blocking (aryloxy)propanolamine pharmacophore were prepared and tested for their beta1-adrenoceptor affinity. For all the active compounds, beta-blocking and diuretic activities were investigated in rats; the structure-activity relationships are discussed Some of the compounds displayed varying levels of both properties and among these, compounds 1c and 2c have been chosen for further development.

  DOI：

  10.1021/jm00053a020
• 作为产物：
  描述：

  4-氯苯胺-3-磺酸 、 二(2-氯乙基)胺盐酸盐 在 potassium carbonate 作用下， 生成 1-(4-chloro-3-sulfamoylphenyl)piperazine
  参考文献：
  名称：

  o-Chlorobenzenesulfonamidic derivatives of (aryloxy)propanolamines as .beta.-blocking/diuretic agents

  摘要：

  A series of compounds 1b-f, 2b-f, and 3b-f having an o-chlorobenzenesulfonamidic diuretic moiety variously linked to the nitrogen side chain of the beta-blocking (aryloxy)propanolamine pharmacophore were prepared and tested for their beta1-adrenoceptor affinity. For all the active compounds, beta-blocking and diuretic activities were investigated in rats; the structure-activity relationships are discussed Some of the compounds displayed varying levels of both properties and among these, compounds 1c and 2c have been chosen for further development.

  DOI：

  10.1021/jm00053a020

文献信息

• o-Chlorobenzenesulfonamidic derivatives of (aryloxy)propanolamines as .beta.-blocking/diuretic agents
  作者：Violetta Cecchetti、Arnaldo Fravolini、Fausto Schiaffella、Oriana Tabarrini、Giancarlo Bruni、Giorgio Segre

  DOI：10.1021/jm00053a020

  日期：1993.1

  A series of compounds 1b-f, 2b-f, and 3b-f having an o-chlorobenzenesulfonamidic diuretic moiety variously linked to the nitrogen side chain of the beta-blocking (aryloxy)propanolamine pharmacophore were prepared and tested for their beta1-adrenoceptor affinity. For all the active compounds, beta-blocking and diuretic activities were investigated in rats; the structure-activity relationships are discussed Some of the compounds displayed varying levels of both properties and among these, compounds 1c and 2c have been chosen for further development.