HCID21071300

Methyl 3-(methanesulfonylamino)phenylacetate

methyl 2-[3-(methanesulfonamido)phenyl]acetate

C10H13NO4S243.28 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)Cc1cccc(NS(C)(=O)=O)c1
InChIKey: VQLLEBCRBHXSQD-UHFFFAOYSA-N
分子式: C10H13NO4S
平均分子量: 243.28 g/mol
单同位素质量: 243.05652907

COMPUTED

结构计算性质

已同步

XLogP: 0.7
极性表面积: 80.9 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 5
重原子: 16
形式电荷: 0
复杂度: 333

ALIASES

名称与别名

共 10 条

methyl 3-(methanesulfonylamino)phenylacetate692890-39-4Methyl 2-[3-(Methylsulfonamido)phenyl]acetateSCHEMBL2767849VQLLEBCRBHXSQD-UHFFFAOYSA-NAKOS033109210SY380119DB-297903Methyl (3-Methanesulfonylamino-phenyl)-acetateZ1146423186

REACTIONS

参与反应

6 条

uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07531556B2

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uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07531556B2

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2007_01 · 10.6084/m9.figshare.5104873.v1 · US07157476B2

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

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uspto-grants-2009_04 · 10.6084/m9.figshare.5104873.v1 · US07514448B2

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