HCID684083

N-(4-acetylphenyl)methanesulfonamide

C9H11NO3S213.26 g/molCAS 5317-89-5

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IDENTITY

结构与身份

标准SMILES: CC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIKey: BQBFGIIQPXLTKM-UHFFFAOYSA-N
分子式: C9H11NO3S
平均分子量: 213.26 g/mol
单同位素质量: 213.04596439

COMPUTED

结构计算性质

等待补全

XLogP: 0.9
极性表面积: 71.6 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 3
重原子: 14
形式电荷: 0
复杂度: 297

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 38 条

N-(4-acetylphenyl)methanesulfonamide5317-89-5DTXSID90350607RefChem:827085DTXCID90301674637-303-8MFCD00159342N-(4-Acetyl-phenyl)-methanesulfon-amide4'-acetylmethanesulfonanilideSCHEMBL4624606SCHEMBL5415993CHEMBL5276553BQBFGIIQPXLTKM-UHFFFAOYSA-NALBB-0029874'-(Methylsulfonylamino)acetophenoneCCG-52886STK501218N-(4-acetyl-phenyl)methanesulfonamideAKOS000167466DS-3007

REACTIONS

参与反应

14 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07094801B2

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uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07094801B2

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uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07094801B2

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

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uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642657B2

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uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642657B2

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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