4-chloro-N-(3,4-dihydro-4-oxoquinazolin-2-yl)-5-methyl-2-(2-phenylsulfonylethylthio)benzenesulfonamide | 1421611-08-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-chloro-N-(3,4-dihydro-4-oxoquinazolin-2-yl)-5-methyl-2-(2-phenylsulfonylethylthio)benzenesulfonamide
• CAS: 1421611-08-6
• 化学式: C₂₃H₂₀ClN₃O₅S₃
• 分子量: 550.08
• InChiKey: BPGJQQSNVMECOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.25
• 重原子数：
  35.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  126.06
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  N-(4-chloro-2-mercapto-5-methylbenzenesulfonyl)cyanamide dipotassium salt 以 水 、 溶剂黄146 为溶剂， 生成 4-chloro-N-(3,4-dihydro-4-oxoquinazolin-2-yl)-5-methyl-2-(2-phenylsulfonylethylthio)benzenesulfonamide
  参考文献：
  名称：

  Synthesis and antibacterial activity of novel 4-chloro-2-mercaptobenzenesulfonamide derivatives

  摘要：

  Few series of novel 4-chloro-2-mercaptobenzenesulfonamides have been synthesized by the reactions of N-(benzenesulfonyl) cyanamide potassium salts 7-15 with corresponding hydrazinecarbodithioic acid esters, 1-substituted carbothioic acid hydrazides, methyl 3-aminothiophene-2-carboxylate, methyl 2-aminobenzoate, 2-aminophenol or 2-aminothiophenol. The synthesized compounds (16-49) were screened in vitro for their antibacterial activity. Some of the tested compounds 16, 17, 23, 24, 31, 32 and 48 showed the promising activity against many of anaerobic Gram-positive bacteria strains.

  DOI：

  10.3109/14756366.2011.625024