HCID57718246

2,4-dichloro-N-{4-formyl-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-pyridin-2-yl}-benzenesulfonamide

2,4-dichloro-N-[4-formyl-5-(4-piperidin-1-ylsulfonylphenyl)sulfanyl-2-pyridinyl]benzenesulfonamide

C23H21Cl2N3O5S3586.5 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: O=Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ncc1Sc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIKey: ZQTOTXZDDHKSNA-UHFFFAOYSA-N
分子式: C23H21Cl2N3O5S3
平均分子量: 586.5 g/mol
单同位素质量: 585.0020397

COMPUTED

结构计算性质

已同步

XLogP: 4.5
极性表面积: 156 Å²
氢键供体: 1
氢键受体: 9
可旋转键: 8
重原子: 36
形式电荷: 0
复杂度: 945

ALIASES

名称与别名

共 4 条

SCHEMBL1269613ZQTOTXZDDHKSNA-UHFFFAOYSA-N2,4-dichloro-N-{4-formyl-5-[4-(piperidine-1-sulfonyl) -phenylsulfanyl]-pyridin-2-yl}-benzenesulfonamide2,4-dichloro-N-{4-formyl-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-pyridin-2-yl}-benzenesulfonamide

REACTIONS

参与反应

7 条

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

查看

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

查看

uspto-grants-2011_02 · 10.6084/m9.figshare.5104873.v1 · US07893077B2

查看

uspto-grants-2011_02 · 10.6084/m9.figshare.5104873.v1 · US07893077B2

查看

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

查看

uspto-grants-2009_06 · 10.6084/m9.figshare.5104873.v1 · US07544702B2

查看

uspto-grants-2009_06 · 10.6084/m9.figshare.5104873.v1 · US07544702B2

查看