HCID22329741

1-(5-Chlorobenzofuran-2-sulfonyl)piperazine

1-[(5-chloro-1-benzofuran-2-yl)sulfonyl]piperazine

C12H13ClN2O3S300.76 g/mol

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IDENTITY

结构与身份

标准SMILES: O=S(=O)(c1cc2cc(Cl)ccc2o1)N1CCNCC1
InChIKey: YZITXTTXYWMFEU-UHFFFAOYSA-N
分子式: C12H13ClN2O3S
平均分子量: 300.76 g/mol
单同位素质量: 300.0335411

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 70.9 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 2
重原子: 19
形式电荷: 0
复杂度: 419

ALIASES

名称与别名

共 7 条

1-(5-chlorobenzofuran-2-sulfonyl)piperazine207798-93-4SCHEMBL6298889YZITXTTXYWMFEU-UHFFFAOYSA-NDB-3286131-(5-chlorobenzofuran-2-ylsulphonyl) piperazine1-(5-chlorobenzo[b]furan-2-ylsulphonyl)piperazine

REACTIONS

参与反应

5 条

uspto-grants-2004_06 · 10.6084/m9.figshare.5104873.v1 · US06753331B1

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uspto-grants-2001_10 · 10.6084/m9.figshare.5104873.v1 · US06300330B1

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uspto-grants-2005_08 · 10.6084/m9.figshare.5104873.v1 · US06936610B2

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

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

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