HCID7938045

4-bromo-N-tert-butyl-3-methylbenzenesulfonamide

C11H16BrNO2S306.22 g/molCAS 958651-46-2

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IDENTITY

结构与身份

标准SMILES: Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1Br
InChIKey: SOIXCQJHVUBIRX-UHFFFAOYSA-N
分子式: C11H16BrNO2S
平均分子量: 306.22 g/mol
单同位素质量: 305.00851

COMPUTED

结构计算性质

已同步

XLogP: 2.9
极性表面积: 54.6 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 3
重原子: 16
形式电荷: 0
复杂度: 329

ALIASES

名称与别名

共 16 条

958651-46-24-bromo-N-tert-butyl-3-methylbenzenesulfonamide4-Bromo-N-(tert-butyl)-3-methylbenzenesulfonamideMFCD126503444-Bromo-N-tert-butyl-3-methyl-benzenesulfonamideSCHEMBL957480DTXSID20428969SOIXCQJHVUBIRX-UHFFFAOYSA-NAKOS008940031SB82810BS-29858CS-0208568AP-263/43465638F2131894-Bromo-N-tert-butyl-3-methylbenzene-1-sulfonamideZ45516770

REACTIONS

参与反应

6 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536187B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536187B2

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

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

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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07868030B2

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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07868030B2

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