2-hydroxy-1-acetophenone benzenesulfonylhydrazone | 1383689-51-7

• 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: 2-hydroxy-1-acetophenone benzenesulfonylhydrazone
• CAS: 1383689-51-7
• 化学式: C₁₅H₁₆N₂O₃S
• 分子量: 304.37
• InChiKey: IDMGNDZUNITCGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.44
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  69.97
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  苯磺酰氯 以 四氢呋喃 为溶剂， 反应 48.0h， 生成 2-hydroxy-1-acetophenone benzenesulfonylhydrazone
  参考文献：
  名称：

  一些磺酰胺类和磺酰的抗菌活性，以及​​一系列磺酰的2D-QSAR研究。

  摘要：

  苯磺酸-1-甲基酰肼（1）及其四种芳族磺酰基衍生物（1a-1d），N-（3-氨基-2-羟丙基）苯磺酰胺（2）和N-（2-羟乙基）苯磺酰胺（3）为通过IR，（1）H NMR，（13）C NMR和LCMS技术确定它们的结构。通过微稀释和圆盘扩散法评估了新合成化合物对各种细菌的抗菌活性。实验结果表明，磺酰胺上存在OH基团会降低抗菌活性，磺酰al（1a-1d）的抗菌活性要比母体磺酰胺（1）小，除了白色念珠菌。此外，对28种芳香族磺酰基进行了二维D-QSAR分析，以作为抗大肠杆菌和金黄色葡萄球菌的抗菌剂。

  DOI：

  10.1016/j.saa.2012.08.043

文献信息

• The antibacterial activity of some sulfonamides and sulfonyl hydrazones, and 2D-QSAR study of a series of sulfonyl hydrazones
  作者：H. Güzin Aslan、Servet Özcan、Nurcan Karacan

  DOI：10.1016/j.saa.2012.08.043

  日期：2012.12

  presence of OH group on sulfonamides reduces the antimicrobial activity, and antimicrobial activities of the sulfonyl hydrazones (1a-1d) are smaller than that of the parent sulfonamide (1), except Candida albicans. In addition, 2D-QSAR analysis was performed on 28 aromatic sulfonyl hydrazones as antimicrobial agents against Escherichia coli and Staphylococcus aureus. In the QSAR models, the most important

  苯磺酸-1-甲基酰肼（1）及其四种芳族磺酰基衍生物（1a-1d），N-（3-氨基-2-羟丙基）苯磺酰胺（2）和N-（2-羟乙基）苯磺酰胺（3）为通过IR，（1）H NMR，（13）C NMR和LCMS技术确定它们的结构。通过微稀释和圆盘扩散法评估了新合成化合物对各种细菌的抗菌活性。实验结果表明，磺酰胺上存在OH基团会降低抗菌活性，磺酰al（1a-1d）的抗菌活性要比母体磺酰胺（1）小，除了白色念珠菌。此外，对28种芳香族磺酰基进行了二维D-QSAR分析，以作为抗大肠杆菌和金黄色葡萄球菌的抗菌剂。
• Aromatic sulfonyl hydrazides and sulfonyl hydrazones: antimicrobial activity and physical properties
  作者：H. Güzin Aslan、Nurcan Karacan

  DOI：10.1007/s00044-012-0104-0

  日期：2013.3

  A series of novel aromatic sulfonamide derivatives (1-7) were synthesized and characterized by elemental analyses, FT-IR, H-1 NMR, C-13 NMR, and LC/MS techniques. The compounds' quantum mechanical descriptors, surface area, and molecular volume were calculated. All the synthesized compounds were evaluated in vitro as antimicrobial agents against representative strains of gram-positive and gram-negative bacteria and as antifungal agents for yeast by both the disc diffusion and minimal inhibition concentration methods for comparison. All the bacteria and fungi studied were screened against some commercial antibiotics to compare with our chemicals' zone diameters. Quantitative structure-activity relationship studies with multiple linear regression analysis were applied to find the correlation between the different calculated molecular descriptors of the synthesized compounds and biological activity.