HCID18957800

3-Nitro-N-(acetyl)benzenesulfonamide

N-(3-nitrophenyl)sulfonylacetamide

C8H8N2O5S244.23 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIKey: PJDRHUXQEUVDOV-UHFFFAOYSA-N
分子式: C8H8N2O5S
平均分子量: 244.23 g/mol
单同位素质量: 244.01539253

COMPUTED

结构计算性质

已同步

XLogP: 0
极性表面积: 117 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 2
重原子: 16
形式电荷: 0
复杂度: 380

ALIASES

名称与别名

共 7 条

23530-45-2SCHEMBL8548451PJDRHUXQEUVDOV-UHFFFAOYSA-N3-Nitro-N-(acetyl)benzenesulfonamideDA-07855DA-210431-(methylcarbonylaminosulphonyl)-3-nitrobenzene

REACTIONS

参与反应

6 条

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

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-1993_06 · 10.6084/m9.figshare.5104873.v1 · US05220018

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uspto-grants-1993_06 · 10.6084/m9.figshare.5104873.v1 · US05220018

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uspto-grants-1994_11 · 10.6084/m9.figshare.5104873.v1 · US05360802

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