N-(2-chloro-5-cyano-5,6,7,8-tetrahydronaphthalen-1-yl)methanesulfonamide | 1033811-75-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: N-(2-chloro-5-cyano-5,6,7,8-tetrahydronaphthalen-1-yl)methanesulfonamide
• CAS: 1033811-75-4
• 化学式: C₁₂H₁₃ClN₂O₂S
• 分子量: 284.766
• InChiKey: XFOJBVXRYLCKKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.65
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  69.96
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  乙醇 、 N-(2-chloro-5-cyano-5,6,7,8-tetrahydronaphthalen-1-yl)methanesulfonamide 在 盐酸 作用下， 生成 ethyl 6-chloro-5-(methylsulfonamido)-1,2,3,4-tetrahydronaphthalene-1-carbimidate
  参考文献：
  名称：

  Novel 2-imidazoles as potent and selective α1A adrenoceptor partial agonists

  摘要：

  Novel 2-imidazoles have been identified as potent partial agonists of the alpha(1A) adrenergic receptor, with good selectivity over the alpha(1B), alpha(1D) and alpha(2A) receptor sub-types. Sulfonamide 23 possessed attractive drug-like properties with respect to physicochemical and ADME properties and wide ligand selectivity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.070
• 作为产物：
  描述：

  N-(2,5-dichloro-5,6,7,8-tetrahydronaphthalen-1-yl)methanesulfonamide 、 氰化钠 以 二甲基亚砜 为溶剂， 生成 N-(2-chloro-5-cyano-5,6,7,8-tetrahydronaphthalen-1-yl)methanesulfonamide
  参考文献：
  名称：

  Novel 2-imidazoles as potent and selective α1A adrenoceptor partial agonists

  摘要：

  Novel 2-imidazoles have been identified as potent partial agonists of the alpha(1A) adrenergic receptor, with good selectivity over the alpha(1B), alpha(1D) and alpha(2A) receptor sub-types. Sulfonamide 23 possessed attractive drug-like properties with respect to physicochemical and ADME properties and wide ligand selectivity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.070