4-氨基-N-(5-甲基-1,2,4-恶二唑-3-基)苯磺酰胺 | 723-47-7

• 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-氨基-N-(5-甲基-1,2,4-恶二唑-3-基)苯磺酰胺
• 英文名称: N¹-(5-Methyl-1.2.4-oxadiazol-3-yl)-sulfanilamid
• 英文别名: sulfamethoxazole；4-amino-N-(5-methyl-[1,2,4]oxadiazol-3-yl)-benzenesulfonamide；sulfanilic acid-(5-methyl-[1,2,4]oxadiazol-3-ylamide)；Sulfanilsaeure-(5-methyl-[1,2,4]oxadiazol-3-ylamid)；4-amino-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
• CAS: 723-47-7
• 化学式: C₉H₁₀N₄O₃S
• 分子量: 254.269
• InChiKey: ASWFWIACWHAFNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-氨基-N-(5-甲基-1,2,4-恶二唑-3-基)苯磺酰胺 在 硫酸 、 sodium nitrite 作用下， 生成 4-hydroxy-benzenesulfonic acid-(5-methyl-[1,2,4]oxadiazol-3-ylamide)
  参考文献：
  名称：

  N-Heterocyclic Benzenesulfonamides

  摘要：

  DOI：

  10.1021/ja01150a042
• 作为产物：
  描述：

  5-甲基-3-氨基-4-氮杂异噁唑 、 对乙酰胺基苯磺酰氯 生成 4-氨基-N-(5-甲基-1,2,4-恶二唑-3-基)苯磺酰胺
  参考文献：
  名称：

  Studies in Chemotherapy. VI. Sulfanilamido Heterocycles¹

  摘要：

  DOI：

  10.1021/ja01264a054

文献信息

• Synthesis and characterization of high-spin iron(III)-sulpha drug complexes and their biological activity
  作者：Mostafa K. Hassan、Refat M. Hassan、Mohamed A. Abd-Alla

  DOI：10.1007/bf00815921

  日期：1991.10

  The iron(III) complexes with sulphathiazole, sulphamethoxazole, sulphadiazine, sulphapyridine and sulphadimidine having the stoichiometric ratio 1:2 (metal:ligand) were prepared and characterized on the basis of elemental analysis, conductivity measurements and electronic absorption spectra. The infrared spectra of the complexes revealed that the terminal amino group of the sulpha molecules is not involved in coordination. Similarities in the position of iron-nitrogen and iron-oxygen stretching modes indicate identical configuration of the complexes prepared. Conductivity measurements showed that they are nonelectrolytes. X-ray powder diffraction patterns showed that two of them are crystalline and others are amorphous. Electron spin resonance and iron-57 Mossbauer measurements indicated that the complexes contain high-spin Fe3+ species. Thermogravimetric analyses showed that all complexes contain coordinated water which is lost at 141-160-degrees-C. All the complexes proved to possess higher bacteriostatic activity than the corresponding ligand.
• N-Heterocyclic Benzenesulfonamides
  作者：Martin E. Hultquist、Richard P. Germann、John S. Webb、William B. Wright、Barbara Roth、James M. Smith、Y. Subba Row

  DOI：10.1021/ja01150a042

  日期：1951.6
• Studies in Chemotherapy. VI. Sulfanilamido Heterocycles¹
  作者：George W. Anderson、H. Eldridge Faith、Harry W. Marson、Philip S. Winnek、Richard O. Roblin

  DOI：10.1021/ja01264a054

  日期：1942.12