N-[4-chloro-2-[C-methyl-N-[4-(trifluoromethyl)anilino]carbonimidoyl]phenyl]-1,1,1-trifluoromethanesulfonamide | 951779-08-1

• 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: N-[4-chloro-2-[C-methyl-N-[4-(trifluoromethyl)anilino]carbonimidoyl]phenyl]-1,1,1-trifluoromethanesulfonamide
• CAS: 951779-08-1
• 化学式: C₁₆H₁₂ClF₆N₃O₂S
• 分子量: 459.8
• InChiKey: WZRZKSKVOQIFEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  78.9
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  N-[4-chloro-2-[C-methyl-N-[4-(trifluoromethyl)anilino]carbonimidoyl]phenyl]-1,1,1-trifluoromethanesulfonamide 、 碘甲烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 N-(4-chloro-2-(1-(2-methyl-2-(4-(trifluoromethyl)phenyl)hydrazineylidene)ethyl)phenyl)-1,1,1-trifluoromethanesulfonamide
  参考文献：
  名称：

  Discovery of ectoparasiticidal hydrazonotrifluoromethanesulfonanilides

  摘要：

  A series of hydrazonotrifluorosulfonanilide derivatives were synthesized and evaluated for in vitro activity against the ectoparasites Ctenocephalides felis and Rhipicephalus sanguineus. Some compounds with excellent activity against tick were identified. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.054
• 作为产物：
  描述：

  N-(2-acetyl-4-chlorophenyl)trifluoromethanesulfonamide 、 4-(三氟甲基)苯肼 以 乙醇 为溶剂， 生成 N-[4-chloro-2-[C-methyl-N-[4-(trifluoromethyl)anilino]carbonimidoyl]phenyl]-1,1,1-trifluoromethanesulfonamide
  参考文献：
  名称：

  Discovery of ectoparasiticidal hydrazonotrifluoromethanesulfonanilides

  摘要：

  A series of hydrazonotrifluorosulfonanilide derivatives were synthesized and evaluated for in vitro activity against the ectoparasites Ctenocephalides felis and Rhipicephalus sanguineus. Some compounds with excellent activity against tick were identified. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.054

文献信息

• Discovery of ectoparasiticidal hydrazonotrifluoromethanesulfonanilides
  作者：Abdelselam Ali、Petr Fisara、Jamie A. Freemont、Stella Kyi、Adam G. Meyer、Andrew G. Riches、Roger M. Sargent、David G. Sawutz、Kathleen A. Turner、Kevin N. Winzenberg、Qi Yang

  DOI：10.1016/j.bmcl.2009.11.054

  日期：2010.1

  A series of hydrazonotrifluorosulfonanilide derivatives were synthesized and evaluated for in vitro activity against the ectoparasites Ctenocephalides felis and Rhipicephalus sanguineus. Some compounds with excellent activity against tick were identified. (C) 2009 Elsevier Ltd. All rights reserved.