5-chloro-2-{2-methyl-4-[1-(4-nitrobenzenesulfonyl)-2-oxo-5-trifluoromethoxy-1,2-dihydro-indol-3-ylideneamino]phenyl}isoindole-1,3-dione | 1383535-35-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 5-chloro-2-{2-methyl-4-[1-(4-nitrobenzenesulfonyl)-2-oxo-5-trifluoromethoxy-1,2-dihydro-indol-3-ylideneamino]phenyl}isoindole-1,3-dione
• 英文别名: 5-Chloro-2-[2-methyl-4-[[1-(4-nitrophenyl)sulfonyl-2-oxo-5-(trifluoromethoxy)indol-3-ylidene]amino]phenyl]isoindole-1,3-dione；5-chloro-2-[2-methyl-4-[[1-(4-nitrophenyl)sulfonyl-2-oxo-5-(trifluoromethoxy)indol-3-ylidene]amino]phenyl]isoindole-1,3-dione
• CAS: 1383535-35-0
• 化学式: C₃₀H₁₆ClF₃N₄O₈S
• 分子量: 684.993
• InChiKey: YFCUQIPTGCBWCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  47
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  168
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  N-(4-氨基-2-甲基苯基)-4-氯酞酰亚胺 在 吡啶 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 5-chloro-2-{2-methyl-4-[1-(4-nitrobenzenesulfonyl)-2-oxo-5-trifluoromethoxy-1,2-dihydro-indol-3-ylideneamino]phenyl}isoindole-1,3-dione
  参考文献：
  名称：

  Synthesis and in vitro antibacterial activity of schiff bases of N-substituted isatins as effective scaffolds

  摘要：

  Novel Schiff bases of N-substituted isatin, 1-13, were synthesized starting from isatin and N-(4-amino-2-methylphenyl)-4-chlorophthalimide and their structures were confirmed by spectral and elemental analyses. All new compounds were tested for their in vitro antibacterial activity against a range of Gram +ve bacterial strains, like Bacillus subtilis (NCIM-2156), Staphylococcus aureus (NCIM-2079) and Staphylococcus epidermis (NCIM-2493) and Gram -ve bacterial strains, like Pseudomonas aeruginosa (NCIM-2036), Escherichia coli (NCIM-2065) and Proteus vulgaris (NCIM-2027) following broth dilution method as recommended by the National Committee for clinical laboratory standards using ciprofloxacin as reference. Determination of minimum inhibitory concentration (MIC) and zone of inhibition showed that the molecules were more active against Gram -ve bacteria than Gram +ve bacteria. The compounds showed promising antibacterial properties with MIC ranging between 10 and 30 mu g/mL.

  DOI：

  10.1007/s00044-012-0087-x

文献信息

• Synthesis and in vitro antibacterial activity of schiff bases of N-substituted isatins as effective scaffolds
  作者：Garima Kumari、Ramendra K. Singh

  DOI：10.1007/s00044-012-0087-x

  日期：2013.2

  Novel Schiff bases of N-substituted isatin, 1-13, were synthesized starting from isatin and N-(4-amino-2-methylphenyl)-4-chlorophthalimide and their structures were confirmed by spectral and elemental analyses. All new compounds were tested for their in vitro antibacterial activity against a range of Gram +ve bacterial strains, like Bacillus subtilis (NCIM-2156), Staphylococcus aureus (NCIM-2079) and Staphylococcus epidermis (NCIM-2493) and Gram -ve bacterial strains, like Pseudomonas aeruginosa (NCIM-2036), Escherichia coli (NCIM-2065) and Proteus vulgaris (NCIM-2027) following broth dilution method as recommended by the National Committee for clinical laboratory standards using ciprofloxacin as reference. Determination of minimum inhibitory concentration (MIC) and zone of inhibition showed that the molecules were more active against Gram -ve bacteria than Gram +ve bacteria. The compounds showed promising antibacterial properties with MIC ranging between 10 and 30 mu g/mL.