N4-(2-chlorobenzylidene)sulfanilamide | 113368-62-0

• 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: N4-(2-chlorobenzylidene)sulfanilamide
• 英文别名: N⁴-(2-chlorobenzylidene)sulfanilamide；N-(2-chloro-benzylidene)-sulfanilic acid amide；N-(2-Chlor-benzyliden)-sulfanilsaeure-amid
• CAS: 113368-62-0
• 化学式: C₁₃H₁₁ClN₂O₂S
• 分子量: 294.762
• InChiKey: JWLMJEWIMGZYQN-CXUHLZMHSA-N

物化性质

• 熔点：
  190 °C
• 沸点：
  501.8±60.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.74
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  72.52
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N4-(2-chlorobenzylidene)sulfanilamide 以55%的产率得到
  参考文献：
  名称：

  KAMDAR, G. C.;CHAVDA, A. C.;PARIKH, A. R., J. INDIAN CHEM. SOC., 64,(1987) N 5, 298-301

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氯苯甲醛 、 磺胺 以 乙醇 为溶剂， 反应 2.0h， 生成 N4-(2-chlorobenzylidene)sulfanilamide
  参考文献：
  名称：

  Kamdar; Chavda; Parikh, Journal of the Indian Chemical Society, 1987, vol. 64, # 5, p. 298 - 301

  摘要：

  DOI：

文献信息

• Kamdar; Chavda; Parikh, Journal of the Indian Chemical Society, 1987, vol. 64, # 5, p. 298 - 301
  作者：Kamdar、Chavda、Parikh

  DOI：——

  日期：——
• CHAUHAN, NATUBHAI A., J. INST. CHEM. (INDIA), 62,(1990) N, C. 71-72
  作者：CHAUHAN, NATUBHAI A.

  DOI：——

  日期：——
• KAMDAR, G. C.;CHAVDA, A. C.;PARIKH, A. R., J. INDIAN CHEM. SOC., 64,(1987) N 5, 298-301
  作者：KAMDAR, G. C.、CHAVDA, A. C.、PARIKH, A. R.

  DOI：——

  日期：——
• Carbonic anhydrase inhibitors. Part 43. Schiff bases derived from aromatic sulfonamides: towards more specific inhibitors for membrane-bound versus cytosolic isozymes
  作者：CT Supuran、A Scozzafava、A Popescu、R Bobes-Tureac、A Banciu、A Creanga、G Bobes-Tureac、MD Banciu

  DOI：10.1016/s0223-5234(97)81681-9

  日期：1997.5

  Schiff bases were prepared by reaction of sulfanilamide, homosulfanilamide and p-aminoethyl-benzenesulfonamide with substituted benzene- and heterocyclic aldehydes. The compounds were characterized by standard procedures and were assayed as inhibitors of three isozymes of carbonic anhydrase (CA). Several of these new compounds showed a modest two-fold selectivity for the membrane-bound (bovine) isozyme, CA IV (bCA IV) as compared to the cytosolic human isozymes hCA I and II, in contrast to classical inhibitors which are 17-33 times less effective against bCA IV. This greater selectivity toward bCA IV is due mainly to a decreased potency against HCA II relative to classical inhibitors. This type of compound might lead to the development of low molecular weight isozyme specific CA IV inhibitors.