2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

• 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: 2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
• 化学式: C₁₁H₉Cl₂N₃O₂S
• mdl: MFCD06079496
• 分子量: 318.183
• InChiKey: OJMSVYUHHSVEIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  80.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氨基-4-甲基嘧啶 、 2,5-二氯苄磺酸氯 在 吡啶 作用下， 生成 2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
  参考文献：
  名称：

  The design and synthesis of ALS inhibitors from pharmacophore models

  摘要：

  In search of new ALS inhibitors without the previous knowledge of receptor crystal structure, DISCO module was applied to produce 3D-pharmacophore models, which provided information to design novel molecules by 3D-database searching. Then a number of molecules were synthesized. Several of them have some ALS inhibitory activities. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00301-7

文献信息

• The design and synthesis of ALS inhibitors from pharmacophore models
  作者：Jie Liu、Zhengming LI、Han Yan、Lingxiu Wang、Junpeng Chen

  DOI：10.1016/s0960-894x(99)00301-7

  日期：1999.7

  In search of new ALS inhibitors without the previous knowledge of receptor crystal structure, DISCO module was applied to produce 3D-pharmacophore models, which provided information to design novel molecules by 3D-database searching. Then a number of molecules were synthesized. Several of them have some ALS inhibitory activities. (C) 1999 Elsevier Science Ltd. All rights reserved.