4,5,6,7-tetrahydrobenzothiophene-2-sulfonamide | 142294-62-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 4,5,6,7-tetrahydrobenzothiophene-2-sulfonamide
• 英文别名: 4,5,6,7-Tetrahydro-2-benzothiophene-1-sulfonamide
• CAS: 142294-62-0
• 化学式: C₈H₁₁NO₂S₂
• 分子量: 217.313
• InChiKey: RSELGJRCCPPPPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  96.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  对氯苯异氰酸酯 、 4,5,6,7-tetrahydrobenzothiophene-2-sulfonamide 在 sodium hydroxide 作用下， 以 丙酮 为溶剂， 生成 N-(4-chlorophenyl)-N'-(4,5,6,7-tetrahydrobenzo[c]thiophene-yl-2-sulfonyl)urea
  参考文献：
  名称：

  Sulfonylureas: a new class of cancer chemotherapeutic agents

  摘要：

  This study summarizes the antitumor properties of a number of sulofenur thiophene analogs against subcutaneously implanted 6C3HED lymphosarcoma with structural modification of the aryl moiety of the sulfonamide portion of the diarylsulfonylureas. The spectrum of activity of N-(p-chlorophenyl)-N'-[(5-methoxy-2-thienyl)sulfonyl]urea in the HXGC3, VRC5, CX-1, and LX-1 cell lines is also presented.

  DOI：

  10.1021/jm00094a013
• 作为产物：
  描述：

  4,5,6,7-Tetrahydrobenzothiophen 在 正丁基锂 、 二氧化硫 、 sodium acetate 、 hydroxylamine-O-sulfonic acid 作用下， 以 水 为溶剂， 反应 5.33h， 生成 4,5,6,7-tetrahydrobenzothiophene-2-sulfonamide
  参考文献：
  名称：

  Sulfonylureas: a new class of cancer chemotherapeutic agents

  摘要：

  This study summarizes the antitumor properties of a number of sulofenur thiophene analogs against subcutaneously implanted 6C3HED lymphosarcoma with structural modification of the aryl moiety of the sulfonamide portion of the diarylsulfonylureas. The spectrum of activity of N-(p-chlorophenyl)-N'-[(5-methoxy-2-thienyl)sulfonyl]urea in the HXGC3, VRC5, CX-1, and LX-1 cell lines is also presented.

  DOI：

  10.1021/jm00094a013

文献信息

• Sulfonylureas: a new class of cancer chemotherapeutic agents
  作者：Fariborz Mohamadi、Michael M. Spees、Gerald B. Grindey

  DOI：10.1021/jm00094a013

  日期：1992.8

  This study summarizes the antitumor properties of a number of sulofenur thiophene analogs against subcutaneously implanted 6C3HED lymphosarcoma with structural modification of the aryl moiety of the sulfonamide portion of the diarylsulfonylureas. The spectrum of activity of N-(p-chlorophenyl)-N'-[(5-methoxy-2-thienyl)sulfonyl]urea in the HXGC3, VRC5, CX-1, and LX-1 cell lines is also presented.