HCID30391301

4-(Pyridin-3-ylsulfamoylmethyl)benzoic Acid Methyl Ester

methyl 4-(pyridin-3-ylsulfamoylmethyl)benzoate

C14H14N2O4S306.34 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(CS(=O)(=O)Nc2cccnc2)cc1
InChIKey: NNJFHIBUJKYXFK-UHFFFAOYSA-N
分子式: C14H14N2O4S
平均分子量: 306.34 g/mol
单同位素质量: 306.06742811

COMPUTED

结构计算性质

已同步

XLogP: 1.2
极性表面积: 93.7 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 6
重原子: 21
形式电荷: 0
复杂度: 438

ALIASES

名称与别名

共 4 条

SCHEMBL3917001NNJFHIBUJKYXFK-UHFFFAOYSA-Nmethyl 4-{[(3-pyridinylamino)sulfonyl]methyl}benzoate4-(Pyridin-3-ylsulfamoylmethyl)benzoic Acid Methyl Ester

REACTIONS

参与反应

3 条

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

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uspto-grants-2009_02 · 10.6084/m9.figshare.5104873.v1 · US07495022B2

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uspto-grants-2009_02 · 10.6084/m9.figshare.5104873.v1 · US07495022B2

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