N-Cyclohexylmethyl-4-{[2-(2,4-dichloro-phenyl)-ethylamino]-methyl}-N-(1H-imidazol-4-ylmethyl)-benzenesulfonamide

• 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-Cyclohexylmethyl-4-{[2-(2,4-dichloro-phenyl)-ethylamino]-methyl}-N-(1H-imidazol-4-ylmethyl)-benzenesulfonamide
• 英文别名: N-(cyclohexylmethyl)-4-[[2-(2,4-dichlorophenyl)ethylamino]methyl]-N-(1H-imidazol-4-ylmethyl)benzenesulfonamide；N-(cyclohexylmethyl)-4-[[2-(2,4-dichlorophenyl)ethylamino]methyl]-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
• 化学式: C₂₆H₃₂Cl₂N₄O₂S
• 分子量: 535.538
• InChiKey: PSWYHQCKXJITGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  35
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  86.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-溴甲基苯磺酰氯 、 2,4-二氯苯酚呋喃 、 4-咪唑甲醛 、 环己甲胺 生成 N-Cyclohexylmethyl-4-{[2-(2,4-dichloro-phenyl)-ethylamino]-methyl}-N-(1H-imidazol-4-ylmethyl)-benzenesulfonamide
  参考文献：
  名称：

  Novel antifungals based on 4-substituted imidazole: solid-phase synthesis of substituted aryl sulfonamides towards optimization of in vitro activity

  摘要：

  The in vitro activity of novel 4-substituted imidazole antifungals was optimized by solid-phase chemistry and parallel synthesis. Potent yeast-selective as well as broad-spectrum antifungal compounds (32 and 20) were discovered. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00551-5