N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitrobenzenesulfonamide

• 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitrobenzenesulfonamide
• 化学式: C₁₄H₁₂N₂O₆S
• mdl: MFCD00843979
• 分子量: 336.325
• InChiKey: QVCRZZHRIYFRIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  119
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitrobenzenesulfonamide 、 alkaline earth salt of/the/ methylsulfuric acid 在 lithium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以81%的产率得到N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylbenzyl)-4-nitrobenzenesulfonamide
  参考文献：
  名称：

  Bacterial Biofilm Inhibition, Hemolytic Activity, and Structure–Activity Relationship of N-(2,3-Dihydro-1,4-Benzodioxin-6-yl)-4-Nitro-N-(Substituted-Benzyl)benzenesulfonamides

  摘要：

  In the work, new antibacterial compounds that combine sulfonamide and benzodioxane fragments in their framework were fabricated. Structures of the sulfonamide derivatives were determined by the IR, H-1 NMR, C-13 NMR, and EI-MS spectroscopy techniques. Antibacterial potential of these molecules was ascertained by biofilm inhibition study against Escherichia coli and Bacillus subtilis. The results revealed that two of the compounds were rather active inhibitors of these two pathogenic bacterial strains. According to the hemolytic study, most of the new molecules are mildly cytotoxic and hence might be used as safe antibacterial agents.

  DOI：

  10.1134/s1068162020020028
• 作为产物：
  描述：

  6-氨基-1,4-苯并二氧杂环 、 对硝基苯磺酰氯 在 sodium carbonate 作用下， 以 水 为溶剂， 反应 4.5h， 以95%的产率得到N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitrobenzenesulfonamide
  参考文献：
  名称：

  Bacterial Biofilm Inhibition, Hemolytic Activity, and Structure–Activity Relationship of N-(2,3-Dihydro-1,4-Benzodioxin-6-yl)-4-Nitro-N-(Substituted-Benzyl)benzenesulfonamides

  摘要：

  In the work, new antibacterial compounds that combine sulfonamide and benzodioxane fragments in their framework were fabricated. Structures of the sulfonamide derivatives were determined by the IR, H-1 NMR, C-13 NMR, and EI-MS spectroscopy techniques. Antibacterial potential of these molecules was ascertained by biofilm inhibition study against Escherichia coli and Bacillus subtilis. The results revealed that two of the compounds were rather active inhibitors of these two pathogenic bacterial strains. According to the hemolytic study, most of the new molecules are mildly cytotoxic and hence might be used as safe antibacterial agents.

  DOI：

  10.1134/s1068162020020028