N-{4-[(4-nitrophenyl)sulfamoyl](2H4)phenyl}acetamide

• ChemBase编号: 177908
• 分子式: C14H13N3O5S
• 平均质量: 335.33512
• 单一同位素质量: 335.05759153
• SMILES: c1c(ccc(c1)S(=O)(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)C
• Canonical SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[N+](=O)[O-]
• InChI: InChI=1S/C14H13N3O5S/c1-10(18)15-11-4-8-14(9-5-11)23(21,22)16-12-2-6-13(7-3-12)17(19)20/h2-9,16H,1H3,(H,15,18)
• InChIKey: GWBPFRGXNGPPMF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{4-[(4-nitrophenyl)sulfamoyl](^2H₄)phenyl}acetamide
• IUPAC传统名: N-{4-[(4-nitrophenyl)sulfamoyl](^2H₄)phenyl}acetamide
• 别名: 4'-[(p-Nitrophenyl)sulfamoyl]acetanilide-d4; N4-Acetyl-4'-nitrosulfanilanilide-d4; N4-Acetyl-N1-(4-nitrophenyl)sulfanilamide-d4; N4-Acetyl-N1-(p-nitrophenyl)sulfanilamide-d4; NSC 217299-d4; NSC 77120-d4; Sulfanitran-d4

登记号

• PubChem SID: 164233818
• PubChem CID: 71752255

理论计算性质

• Acid pKa: 7.6228285
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 1.635718
• LogD (pH = 7.4): 1.4635335
• Log P: 1.6386057
• 摩尔折射率: 85.0779 cm^3
• 极化性: 32.05707 Å^3
• 极化表面积: 121.09 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - S689042

Labelled Sulfanitran, a sulfanomide derivative used as an anticoccidial drug. Sulfanitran is added to the drinking water of chickens as an aid in the treatment of coccidiosis caused by E. tenella, E. necatrix, and E. acervulina.

参考文献

• Morehouse, N.F. et al.: Exp. Parasitol., 28, 25 (1970)
• Reid, W.M. et al.: Acta Vet. Brno, 38, 137 (1970)
• McLoughlin, D.K. et al.: Avian Dis., 10, 410 (1970)