N-[5-(propylsulfonylamino)pentyl]propane-1-sulfonamide | 1219617-82-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: N-[5-(propylsulfonylamino)pentyl]propane-1-sulfonamide
• CAS: 1219617-82-9
• 化学式: C₁₁H₂₆N₂O₄S₂
• 分子量: 314.47
• InChiKey: RJFPSJOEWBBPCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  19
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,5-二氨基戊烷 、 丙基磺酰氯 以 四氢呋喃 为溶剂， 反应 24.0h， 以75%的产率得到N-[5-(propylsulfonylamino)pentyl]propane-1-sulfonamide
  参考文献：
  名称：

  Quantitative structure–activity relationships studies for prediction of antimicrobial activity of synthesized disulfonamide derivatives

  摘要：

  A new series of disulfonamides were synthesized and assayed as antimicrobial agents against Staphylococcus aureus, Bacillus cereus, and Escherichia coli. The quantitative structure-activity relationship analysis (QSAR) was applied to find out the correlation between experimentally evaluated antimicrobial activities with various parameters of the compounds using stepwise multiple liner regression method. The QSAR analysis revealed that the third-order average connectivity index ((3)chi(A)) was found to have negative correlation. The best QSAR models were further validated by leave-one-out method of cross-validation.

  DOI：

  10.1007/s00044-010-9304-7