2-(tert-butylaMino)sulfonyl-phenylboronic acid pinacol ester

HCID 57469585

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基本情報

CAS: 1260231-89-7
標準SMILES: CC(C)(C)NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1
InChIKey: FXHJZFAZENHBOW-UHFFFAOYSA-N
分子式: C16H26BNO4S
平均分子量: 339.3 g/mol
単同位体質量: 339.16755971

名称と識別子

優先名称: 2-(tert-butylaMino)sulfonyl-phenylboronic acid pinacol ester
IUPAC: N-tert-butyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
英語名: 2-(tert-butylaMino)sulfonyl-phenylboronic acid pinacol ester
分子式: C16H26BNO4S
分子量: 339.26

名称と別名

1260231-89-72-(tert-butylaMino)sulfonyl-phenylboronic acid pinacol esterN-(tert-Butyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamideN-tert-butyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide3-hydroxy-2,3-dimethylbutan-2-yl hydrogen (2-(N-(tert-butyl)sulfamoyl)phenyl)boronateSCHEMBL651393FXHJZFAZENHBOW-UHFFFAOYSA-NDTXSID001125510N-t-Butyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamideWS-01932DB-250782D86834

名称をさらに表示

2-(tert-butylaMino)sulfonyl-phenylboronic acid picol esterBenzenesulfonamide, N-(1,1-dimethylethyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

N-(1,1-Dimethylethyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamideN-t-butyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzenesulfonamideN-t-butyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene sulfonamideN-tert-Butyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide

データベース識別子

CAS: 1260231-89-7
PubChem CID: 57469585
DTXSID: DTXSID001125510

物性

構造計算による物性

極性表面積: 73 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 23
形式電荷: 0
複雑度: 517

物理化学的性質

外見: solid
InChI: 1S/C16H26BNO4S/c1-14(2,3)18-23(19,20)13-11-9-8-10-12(13)17-21-15(4,5)16(6,7)22-17/h8-11,18H,1-7H3
InChIKey: FXHJZFAZENHBOW-UHFFFAOYSA-N
SMILES: CC1(C)C(C)(C)OB(C2=CC=CC=C2S(=O)(NC(C)(C)C)=O)O1