4-(((3-cyclopentyl-2,6-dioxopiperidin-1-yl)methyl)amino)-N-(pyrimidin-2-yl)benzenesulfonamide | 1260369-86-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 4-(((3-cyclopentyl-2,6-dioxopiperidin-1-yl)methyl)amino)-N-(pyrimidin-2-yl)benzenesulfonamide
• CAS: 1260369-86-5
• 化学式: C₂₁H₂₅N₅O₄S
• 分子量: 443.527
• InChiKey: IUMVJRPOJDWZBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  31.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  121.36
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 3-Cyclopentyl-glutarimid 、 磺胺嘧啶 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 0.5h， 生成 4-(((3-cyclopentyl-2,6-dioxopiperidin-1-yl)methyl)amino)-N-(pyrimidin-2-yl)benzenesulfonamide
  参考文献：
  名称：

  SYNTHETIC, SPECTRAL, ANTIMICROBIAL AND QSAR STUDIES ON NOVEL MANNICH BASES OF GLUTARIMIDES

  摘要：

  A series of forty Mannich bases of glutarimides with sulfonamides and secondary amines were synthesized and evaluated in vitro against six pathogenic Gram-positive and Gram-negative bacteria. The synthesized Mannich bases were characterized by elemental and spectral analysis. The modeling anti-bacterial activities of these newly synthesized Mannich bases against six bacteria was attempted employing H-1 NMR chemical shift, physicochemical properties and topological indices as the correlating parameters. Our results, based on Quantitative Structure-Activity Relationships (QSARs), have indicated that statistically significant models are obtained for modeling the anti-bacterial activities The results are discussed critically using a variety of statistical parameters.

  DOI：

  10.4067/s0717-97072010000300001