N-[[(5R)-3-(3-fluoro-4-piperazin-1-yl-phenyl)-2-oxo-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide | 1430414-31-5

• 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: N-[[(5R)-3-(3-fluoro-4-piperazin-1-yl-phenyl)-2-oxo-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
• 英文别名: N-[[(5R)-3-(3-fluoro-4-piperazin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
• CAS: 1430414-31-5
• 化学式: C₂₁H₂₂F₄N₄O₄S
• 分子量: 502.49
• InChiKey: LHFSWGNIRVUSJL-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  99.4
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  (R)-4-(2-fluoro-4-(2-oxo-5-((4-(trifluoromethyl)phenylsulfonamido)methyl)-oxazolidin-3-yl)phenyl)piperazin-1-yl pivalate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以80%的产率得到N-[[(5R)-3-(3-fluoro-4-piperazin-1-yl-phenyl)-2-oxo-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
  参考文献：
  名称：

  Synthesis, biological evaluation of new oxazolidino-sulfonamides as potential antimicrobial agents

  摘要：

  A number of linezolid-like oxazolidino-sulfonamides (7a-y and 8a-b) were designed and synthesized with a view to develop antimicrobial agents with improved properties. Most of the synthesized compounds showed good to moderate activity against a panel of standard Gram-positive and Gram-negative bacteria and fungal strains. The compounds 7i and 7v exhibited significant activity, with a MIC value of 2.0-6.0 mu g/mL against a panel of Gram-positive and Gram-negative bacteria. These compounds also showed activity against Candida albicans, with a MIC value of 4.0 mu g/mL. A correlation of the antimicrobial activity with calculated lipophilicity values (C log P) is also presented. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.01.034