5-Fluoro-N-(4-hydroxymethyl-2-methanesulfonylphenyl)-3-methylbenzo[b]thiophene-2-sulfonamide (HCID 22041443)

基本情報

標準SMILES: Cc1c(S(=O)(=O)Nc2ccc(CO)cc2S(C)(=O)=O)sc2ccc(F)cc12
InChIKey: FSBUSUKVSNLYOP-UHFFFAOYSA-N
分子式: C17H16FNO5S3
平均分子量: 429.5 g/mol

名称と識別子

優先名称: 5-Fluoro-N-(4-hydroxymethyl-2-methanesulfonylphenyl)-3-methylbenzo[b]thiophene-2-sulfonamide
IUPAC: 5-fluoro-N-[4-(hydroxymethyl)-2-methylsulfonylphenyl]-3-methyl-1-benzothiophene-2-sulfonamide

名称と別名

CHEMBL339348SCHEMBL3134193FSBUSUKVSNLYOP-UHFFFAOYSA-NBDBM501355065-Fluoro-N-(4-hydroxymethyl-2-methanesulfonylphenyl)-3methylbenzo[b]thiophene-2-sulfonamide5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonic acid (4-hydroxymethyl-2-methanesulfonyl-phenyl)-amide5-Fluoro-N-(4-hydroxymethyl-2-methanesulfonylphenyl)-3-methylbenzo[b]thiophene-2-sulfonamide

データベース識別子

PubChem CID: 22041443
ChEMBL: CHEMBL339348

物性

構造計算による物性

XLogP: 3.2
極性表面積: 146 Å²
水素結合供与体数: 2
水素結合受容体数: 8
回転可能結合数: 5
重原子数: 27
形式電荷: 0
複雑度: 733

化合物ノート

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