N-(2-(1H-indol-3-yl)ethyl)-5-methyl-1,3,4-thiadiazole-2-sulfonamide | 1136471-72-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: N-(2-(1H-indol-3-yl)ethyl)-5-methyl-1,3,4-thiadiazole-2-sulfonamide
• 英文别名: N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,3,4-thiadiazole-2-sulfonamide
• CAS: 1136471-72-1
• 化学式: C₁₃H₁₄N₄O₂S₂
• 分子量: 322.412
• InChiKey: URKLQWNPUXBSIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  色胺 、 pentafluorophenyl 5-methyl-1,3,4-thiadiazole-2-sulfonate 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 以96%的产率得到N-(2-(1H-indol-3-yl)ethyl)-5-methyl-1,3,4-thiadiazole-2-sulfonamide
  参考文献：
  名称：

  Heterocyclic pentafluorophenyl sulfonate esters as shelf stable alternatives to sulfonyl chlorides

  摘要：

  Heterocyclic pentafluorophenyl sulfonate esters are shelf stable alternatives to the often less stable sulfonyl chlorides. They are easily prepared from thiols and react readily with primary and secondary amines to produce sulfonamides in high yields. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.09.015

文献信息

• Heterocyclic pentafluorophenyl sulfonate esters as shelf stable alternatives to sulfonyl chlorides
  作者：Jan Bornholdt、Karianne Wilhemsen Fjære、Jakob Felding、Jesper Langgaard Kristensen

  DOI：10.1016/j.tet.2009.09.015

  日期：2009.11

  Heterocyclic pentafluorophenyl sulfonate esters are shelf stable alternatives to the often less stable sulfonyl chlorides. They are easily prepared from thiols and react readily with primary and secondary amines to produce sulfonamides in high yields. (c) 2009 Elsevier Ltd. All rights reserved.