基本情報
- 標準SMILES
CC(C)S(=O)(=O)Nc1ccsc1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1- InChIKey
AMESWHHRXMQUGR-UHFFFAOYSA-N- 分子式
- C19H26BNO4S2
- 平均分子量
- 407.4 g/mol
名称と識別子
- 優先名称
- Propane-2-sulfonic acid {2-[4-(4,4,5,5-tetramethyl-[1,3,2] dioxaborolan-2-yl)-phenyl]-thiophen-3-yl}-amide
- IUPAC
- N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]thiophen-3-yl]propane-2-sulfonamide
名称と別名
propane-2-sulfonic acid {2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-thiophen-3-yl}-amidepropane-2-sulfonic acid {2-[4-{4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-thiophen-3-yl}-amideSCHEMBL3601164AMESWHHRXMQUGR-UHFFFAOYSA-Npropane-2-sulfonic acid {2-[4-(4,4,5,5-tetramethyl-[1,3,2] dioxaborolan-2-yl)-phenyl]-thiophen-3-yl}-amidepropane-2-sulfonic acid {2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl) -phenyl]-thiophen-3-yl}-amidepropane-2-sulfonic acid {2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-thiophen -3-yl}-amidePropane-2-sulfonic acid{2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pheny]-thiophen-3-yl}-amidepropane-2-sulfonic acid{2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-thiophen-3-yl}-amide
データベース識別子
- PubChem CID
- 59747992
物性
構造計算による物性
- 極性表面積
- 101 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 5
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 608
関連反応
10 件
化合物ノート
読み込み中…