HCID57731928

4-([[3-Chloro-4-(trifluoromethyl)benzyl]amino]carbonyl)benzenesulfonyl chloride

4-[[3-chloro-4-(trifluoromethyl)phenyl]methylcarbamoyl]benzenesulfonyl chloride

C15H10Cl2F3NO3S412.2 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(NCc1ccc(C(F)(F)F)c(Cl)c1)c1ccc(S(=O)(=O)Cl)cc1
InChIKey: KRDKZNSBLAXPMX-UHFFFAOYSA-N
分子式: C15H10Cl2F3NO3S
平均分子量: 412.2 g/mol
单同位素质量: 410.9710542

COMPUTED

结构计算性质

已同步

XLogP: 4.2
极性表面积: 71.6 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 4
重原子: 25
形式电荷: 0
复杂度: 572

ALIASES

名称与别名

共 3 条

4-([[3-Chloro-4-(trifluoromethyl)benzyl]amino]carbonyl)benzenesulfonyl chloride4-({[3-chloro-4-(trifluoromethyl)benzyl]amino}carbonyl)benzenesulfonyl chlorideSCHEMBL3154391

REACTIONS

相关反应

5 条

uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08741934B2

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08741934B2

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08357711B2

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uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08357711B2

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