HCID66833433

N-(2-(Morpholine-4-carbonyl)-5-nitrophenyl)methanesulfonamide

N-[2-(morpholine-4-carbonyl)-5-nitrophenyl]methanesulfonamide

C12H15N3O6S329.33 g/mol

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IDENTITY

结构与身份

标准SMILES: CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCOCC1
InChIKey: PYMMYIDKHBZEFV-UHFFFAOYSA-N
分子式: C12H15N3O6S
平均分子量: 329.33 g/mol
单同位素质量: 329.06815638

COMPUTED

结构计算性质

已同步

XLogP: 0.4
极性表面积: 130 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 3
重原子: 22
形式电荷: 0
复杂度: 520

ALIASES

名称与别名

共 6 条

SCHEMBL895410PYMMYIDKHBZEFV-UHFFFAOYSA-NDB-418280N-(2-(Morpholine-4-carbonyl)-5-nitrophenyl)methanesulfonamideN-[2-(4-Morpholinylcarbonyl)-5-nitrophenyl]methanesulfonamide1258322-93-8

REACTIONS

参与反应

4 条

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

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-2013_11 · 10.6084/m9.figshare.5104873.v1 · US08586751B2

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uspto-grants-2013_11 · 10.6084/m9.figshare.5104873.v1 · US08586751B2

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