4-氯-N-(2,3-二氯苯基)苯磺酰胺 | 92589-23-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-氯-N-(2,3-二氯苯基)苯磺酰胺
• 英文名称: 4-chloro-N-(2,3-dichlorophenyl)benzenesulfonamide
• CAS: 92589-23-6
• 化学式: C₁₂H₈Cl₃NO₂S
• mdl: MFCD00065156
• 分子量: 336.626
• InChiKey: YIBDTXXQBRJTCF-UHFFFAOYSA-N

物化性质

• 沸点：
  449.2±55.0 °C(Predicted)
• 密度：
  1.570±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2935009090

反应信息

• 作为反应物：
  描述：

  4-氯-N-(2,3-二氯苯基)苯磺酰胺 在 sodium hydride 、 一水合肼 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-chloro-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
  参考文献：
  名称：

  Identification and optimization of novel 1,3,4-oxadiazole EP1 receptor antagonists

  摘要：

  A novel series of oxadiazole EP1 receptor antagonists was identified by replacing the amide of a known glycine sulfonamide derivative with a 1,3,4-oxadiazole. Optimization of the substitution patterns on the three aromatic rings led to the identification of high affinity EP1 receptor antagonists. The derivative with highest affinity displayed a binding IC50 of 2.5 nM (pIC(50) 8.6). (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.014
• 作为产物：
  描述：

  2,3-二氯苯胺 、 4-氯苯磺酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 4-氯-N-(2,3-二氯苯基)苯磺酰胺
  参考文献：
  名称：

  Identification and optimization of novel 1,3,4-oxadiazole EP1 receptor antagonists

  摘要：

  A novel series of oxadiazole EP1 receptor antagonists was identified by replacing the amide of a known glycine sulfonamide derivative with a 1,3,4-oxadiazole. Optimization of the substitution patterns on the three aromatic rings led to the identification of high affinity EP1 receptor antagonists. The derivative with highest affinity displayed a binding IC50 of 2.5 nM (pIC(50) 8.6). (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.014

文献信息

• Identification and optimization of novel 1,3,4-oxadiazole EP1 receptor antagonists
  作者：Adrian Hall、Susan H. Brown、Anita Chowdhury、Gerard M.P. Giblin、Mairi Gibson、Mark P. Healy、David G. Livermore、Richard J. McArthur Wilson、Alan Naylor、D. Anthony Rawlings、Shilina Roman、Emma Ward、Caroline Willay

  DOI：10.1016/j.bmcl.2007.06.014

  日期：2007.8

  A novel series of oxadiazole EP1 receptor antagonists was identified by replacing the amide of a known glycine sulfonamide derivative with a 1,3,4-oxadiazole. Optimization of the substitution patterns on the three aromatic rings led to the identification of high affinity EP1 receptor antagonists. The derivative with highest affinity displayed a binding IC50 of 2.5 nM (pIC(50) 8.6). (c) 2007 Elsevier Ltd. All rights reserved.