N,N'-bis[(2-methylphenyl)sulfonyl]ethylenediamine | 1219617-76-1

• 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,N'-bis[(2-methylphenyl)sulfonyl]ethylenediamine
• 英文别名: 2-methyl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
• CAS: 1219617-76-1
• 化学式: C₁₆H₂₀N₂O₄S₂
• 分子量: 368.478
• InChiKey: AGPOKHVXXYEXQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,10-菲罗啉 、 N,N'-bis[(2-methylphenyl)sulfonyl]ethylenediamine 、 copper diacetate 以 乙腈 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  Synthesis, characterization, and antimicrobial activity of copper(II) complexes with N,N′-propanediyl-bis-benzenesulfonamide and N,N′-ethanediyl-bis-2-methylbenzenesulfonamide

  摘要：

  Copper(II) complexes of new aryldisulfonamides (L (1) = N,N'-bis[(2-methylphenyl)sulfonyl]ethylenediamine) and L (2) = N,N'-propanediyl-bis-benzenesulfonamide with 1,10-phenanthroline have been synthesized and characterized by using elemental analyses, FT-IR, LCMS, conductivity, and magnetic susceptibility techniques. The structures of [Cu(phen)(2)]L-1 (1) and [CuL2(phen)(2)] (2) compounds have been determined. Complex (1) has also been characterized by single crystal X-ray diffraction. The complex (1) crystallizes in the triclinic system, space group P1, with cell constants a = 12.9353(8) , b = 13.8543(9) , c = 14.4513(10) , alpha = 103.593(5)A degrees, beta A = 113.713(5)A degrees, gamma A = 106.104(5)A degrees, and Z = 1. The antibacterial activities of synthesized compounds were studied against Gram-positive bacteria: Staphylococcus aureus, Bacillus subtilis, and B. cereus and Gram-negative bacteria: Escherichia coli, Pseudomonas aeruginosa, and Yersinia enterocolitica by microdilution (as MICs in mu g/mL) and disk diffusion (as diameter zone in mm) method. The biological activity screening showed that (1) has more activity than (2) against the tested bacteria.

  DOI：

  10.1007/s00044-012-0171-2
• 作为产物：
  描述：

  乙二胺 、 邻甲苯磺酰氯 以 四氢呋喃 为溶剂， 反应 24.0h， 以75%的产率得到N,N'-bis[(2-methylphenyl)sulfonyl]ethylenediamine
  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