HCID57942077

5-Chloro-3-(4-chloro-3-trifluoromethyl benzenesulfonylamino)-pyridine-2-carboxylic acid

5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxylic acid

C13H7Cl2F3N2O4S415.2 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIKey: WOESZFOVOKHIPT-UHFFFAOYSA-N
分子式: C13H7Cl2F3N2O4S
平均分子量: 415.2 g/mol
单同位素质量: 413.9455678

COMPUTED

结构计算性质

等待补全

XLogP: 3.9
极性表面积: 105 Å²
氢键供体: 2
氢键受体: 9
可旋转键: 4
重原子: 25
形式电荷: 0
复杂度: 599

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 5 条

5-chloro-3-(4-chloro-3-trifluoromethyl benzenesulfonylamino)-pyridine-2-carboxylic acidSCHEMBL1269975-Chloro-3-(4-chloro-3-(trifluoromethyl)phenylsulfonamido)picolinic acid5-chloro-3-(4-chloro-3-trifluoromethyl-benzenesulfonylamino)-pyridine -2-carboxylic acid5-chloro-3-(4-chloro-3-trifluoromethyl-benzenesulfonylamino)-pyridine-2-carboxylic acid

REACTIONS

参与反应

92 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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