HCID58974999

Benzoic acid,4-[(3-iodo-1h-indol-1-yl)sulfonyl]-,methyl ester

methyl 4-(3-iodoindol-1-yl)sulfonylbenzoate

C16H12INO4S441.2 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(S(=O)(=O)n2cc(I)c3ccccc32)cc1
InChIKey: YGSLGZJXCMXYIA-UHFFFAOYSA-N
分子式: C16H12INO4S
平均分子量: 441.2 g/mol
单同位素质量: 440.95318

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 73.8 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 4
重原子: 23
形式电荷: 0
复杂度: 539

ALIASES

名称与别名

共 5 条

benzoic acid,4-[(3-iodo-1h-indol-1-yl)sulfonyl]-,methyl ester859164-52-6SCHEMBL1413298YGSLGZJXCMXYIA-UHFFFAOYSA-N4-(3-iodo-indole-1-sulfonyl)-benzoic acid methyl ester

REACTIONS

参与反应

9 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07595339B2

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uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07595339B2

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uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07595339B2

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

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uspto-grants-2007_10 · 10.6084/m9.figshare.5104873.v1 · US07276516B2

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uspto-grants-2007_10 · 10.6084/m9.figshare.5104873.v1 · US07276516B2

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uspto-grants-2007_10 · 10.6084/m9.figshare.5104873.v1 · US07276516B2

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