N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methanesulfonylphenyl)propan-2-yl]benzamide

• ChemBase编号: 160962
• 分子式: C17H18FNO4S
• 平均质量: 351.3925232
• 单一同位素质量: 351.09405728
• SMILES: c1cc(ccc1[C@H]([C@H](NC(=O)c1ccccc1)CF)O)S(=O)(=O)C
• Canonical SMILES: FC[C@H]([C@@H](c1ccc(cc1)S(=O)(=O)C)O)NC(=O)c1ccccc1
• InChI: InChI=1S/C17H18FNO4S/c1-24(22,23)14-9-7-12(8-10-14)16(20)15(11-18)19-17(21)13-5-3-2-4-6-13/h2-10,15-16,20H,11H2,1H3,(H,19,21)/t15-,16-/m1/s1
• InChIKey: MUYIXUSIKJZXBP-HZPDHXFCSA-N

名称和登记号

名称

• IUPAC标准名: N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methanesulfonylphenyl)propan-2-yl]benzamide
• IUPAC传统名: N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methanesulfonylphenyl)propan-2-yl]benzamide
• 别名: N-Benzoyl Florfenicol Amine

登记号

• PubChem SID: 162255097
• PubChem CID: 29972644

理论计算性质

• Acid pKa: 13.59862
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 1.2427655
• LogD (pH = 7.4): 1.2427654
• Log P: 1.2427658
• 摩尔折射率: 88.8822 cm^3
• 极化性: 34.624706 Å^3
• 极化表面积: 83.47 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - B208180

Florfenicol Amine derivative.