N-[3'-(N'-Benzylmethylamino)-4'-nitrophenyl]-4-acetamido benzenesulfonamide | 88914-87-8

• 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: N-[3'-(N'-Benzylmethylamino)-4'-nitrophenyl]-4-acetamido benzenesulfonamide
• 英文别名: N-[4-[[3-[benzyl(methyl)amino]-4-nitrophenyl]sulfamoyl]phenyl]acetamide
• CAS: 88914-87-8
• 化学式: C₂₂H₂₂N₄O₅S
• 分子量: 454.506
• InChiKey: PEDRBNXBZOYYOK-UHFFFAOYSA-N

物化性质

• 熔点：
  169 °C
• 密度：
  1.410±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.99
• 重原子数：
  32.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  121.65
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  3-(benzylmethylamino)-4-nitroaniline 生成 N-[3'-(N'-Benzylmethylamino)-4'-nitrophenyl]-4-acetamido benzenesulfonamide
  参考文献：
  名称：

  ATWELL, GRAHAM J.;BAGULEY, BRUCE C.;DENNY, WILLIAM A.;REWCASTLE, GORDON W+

  摘要：

  DOI：

文献信息

• Substituted o-phenylenediamine acridine compounds having antitumor
  申请人：Development Finance Corporation of New Zealand

  公开号：US04603125A1

  公开（公告）日：1986-07-29

  Compounds represented by the general formula (I): ##STR1## in which R.sub.1 represents ##STR2## A and B each represent H or a lower alkane optionally substituted with amino and/or hydroxyl functions, except that A and B are not both H; R.sub.3 represents H, OCH.sub.3, CH.sub.3, halogen, NH.sub.2, NO.sub.2, NHCH.sub.3, N.sub.3 (CH.sub.3).sub.2, N.sub.3, NHCOCH.sub.3, NHCOOCH.sub.3, N(CH.sub.3)COOCH.sub.3, CONH.sub.2 or CONHCH.sub.3 ; R.sub.4 represents H, alkyl, O-alkyl, CONH.sub.2, CONHCH.sub.3 or CONHCH.sub.2 CONHCH.sub.3, except that R.sub.3 and R.sub.4 taken together can represent --C.dbd.CH--CH.dbd.N--; R.sub.5 represents H, alkyl, O-alkyl, CONH.sub.2, CONHCH.sub.3 or CONH.sub.2 CH.sub.2 CONHCH.sub.3 ; R.sub.6 represents lower alkyl; R.sub.7 represents CH.sub.3 or C.sub.6 H.sub.5 (phenyl); R.sub.8 represents lower alkyl or C.sub.6 H.sub.5 (phenyl); R.sub.9 represents H, NHCOCH.sub.3, NH.sub.2 or N.dbd.CHN(CH.sub.3).sub.2 ; and R.sub.10 represents H or NH.sub.2 ; and the acid addition salts thereof, possess antibacterial and antitumour properties.

  通式（I）所代表的化合物：##STR1## 其中R.sub.1代表##STR2## A和B分别代表H或较低的烷基，可选地取代氨基和/或羟基功能，但A和B不能同时为H；R.sub.3代表H、OCH.sub.3、CH.sub.3、卤素、NH.sub.2、NO.sub.2、NHCH.sub.3、N.sub.3（CH.sub.3）.sub.2、N.sub.3、NHCOCH.sub.3、NHCOOCH.sub.3、N(CH.sub.3)COOCH.sub.3、CONH.sub.2或CONHCH.sub.3；R.sub.4代表H、烷基、O-烷基、CONH.sub.2、CONHCH.sub.3或CONHCH.sub.2 CONHCH.sub.3，但R.sub.3和R.sub.4结合在一起可以代表--C.dbd.CH--CH.dbd.N--；R.sub.5代表H、烷基、O-烷基、CONH.sub.2、CONHCH.sub.3或CONH.sub.2 CH.sub.2 CONHCH.sub.3；R.sub.6代表较低的烷基；R.sub.7代表CH.sub.3或C.sub.6 H.sub.5（苯基）；R.sub.8代表较低的烷基或C.sub.6 H.sub.5（苯基）；R.sub.9代表H、NHCOCH.sub.3、NH.sub.2或N.dbd.CHN(CH.sub.3).sub.2；R.sub.10代表H或NH.sub.2；以及它们的酸加成盐具有抗菌和抗肿瘤性能。