4-(4-aminobenzenesulfonyl)phenol

• ChemBase编号: 160175
• 分子式: C12H11NO3S
• 平均质量: 249.28564
• 单一同位素质量: 249.04596422
• SMILES: c1c(ccc(c1)S(=O)(=O)c1ccc(cc1)N)O
• Canonical SMILES: Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O
• InChI: InChI=1S/C12H11NO3S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,14H,13H2
• InChIKey: PSHPCZGANRRQDN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(4-aminobenzenesulfonyl)phenol
• IUPAC传统名: 4-(4-aminobenzenesulfonyl)phenol
• 别名: 4-[(4-Aminophenyl)sulfonyl]phenol; p-Sulfanilylphenol; 4-Amino-4'-hydroxydiphenylsulfone

登记号

• CAS号: 25963-47-7
• PubChem SID: 162254310
• PubChem CID: 117686

理论计算性质

• Acid pKa: 7.724255
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 1.7928866
• LogD (pH = 7.4): 1.6285653
• Log P: 1.7955892
• 摩尔折射率: 66.2715 cm^3
• 极化性: 26.130774 Å^3
• 极化表面积: 80.39 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - A611225

4-Amino-4'-hydroxydiphenylsulfone is a diaryl sulfone with antileprotic activity. 4-Amino-4'-hydroxydiphenylsulfone is an antibacterial agent.

参考文献

• Colwell, W.T. et al.: J. Med. Chem., 17, 142 (1974)
• Agrawal, V.K. et al.: Acta Microb iol. Immunol. Hung., 50, 385 (1974)