2,4-二氟-n-[2-甲氧基-5-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-3-吡啶]-苯磺酰胺 | 1083326-73-1
2,4-二氟-n-[2-甲氧基-5-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-3-吡啶]-苯磺酰胺
3-(2,4-Difluorophenylsulfonylamino)-2-methoxypyridine-5-boronic acid pinacol ester
1083326-73-1
C18H21BF2N2O5S
426.242550611496
名称和标识符
MDL |
MFCD12923393 |
InChIKey |
CTHJPTSKLMLUCQ-UHFFFAOYSA-N |
Inchi |
1S/C18H21BF2N2O5S/c1-17(2)18(3,4)28-19(27-17)11-8-14(16(26-5)22-10-11)23-29(24,25)15-7-6-12(20)9-13(15)21/h6-10,23H,1-5H3 |
SMILES |
S(C1C=CC(=CC=1F)F)(NC1=C(N=CC(B2OC(C)(C)C(C)(C)O2)=C1)OC)(=O)=O |
别名信息
- 中文别名 -
- 2,4-二氟-N-[2-(甲氧基)-5-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)-3-吡啶基]苯磺酰胺
- 2,4-二氟-n-[2-甲氧基-5-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-3-吡啶]-苯磺酰胺
- 2,4-difluoro-N-(2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)benzenesulfonamide
- 2,4-二氟-N-(2-甲氧基-5-(4,4,5,5-四甲基-1,3,2-二氧硼杂环戊烷-2-基)吡啶-3-基)苯磺酰胺
- 英文别名 -
- 2,4-difluoro-N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-Benzenesulfonamide
- 2,4-difluoro-N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]benzenesulfonamide
- Benzoic acid, 2-[(2-methylphenyl)methoxy]-
- 2,4-difluoro-N-(2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-yl)benzenesulfonamide
- 2,4-difluoro-N-[2-(methyloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide
- 2,4-difluoro-N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridin-3-yl]-benzenesulfonamide
- N-(2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)-2,4-difluorobenzenesulfonamide
- 2,4-difluoro-N-(2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)benzenesulfonamide
- 2,4-Difluoro-N-[2-(methyloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide
- 1083326-73-1
- BCP14397
- CS-M0092
- 3-(2,4-Difluorophenylsulfonylamino)-2-methoxypyridine-5-boronic acid pinacol ester
- 2,4-Difluoro-N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]benzene-1-sulfonamide
- DTXSID10732406
- SCHEMBL110313
- C12145
- Benzenesulfonamide, 2,4-difluoro-N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-
- C18H21BF2N2O5S
- MFCD12923393
- 2,4-difluoro-N-[2-(methoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide
- J-507216
- AKOS016845421
- CS-14172
- 2-chloro-5-(3,5-dimethylpiperidinosulphonyl)benzoicacid
- CTHJPTSKLMLUCQ-UHFFFAOYSA-N
- 2,4-difluoro-N-(2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)benzene sulfonamide
物化性质
实验特性
LogP |
3.62220 |
PSA |
95.13000 |
密度 |
1.35 |
计算特性
精确分子量 |
426.12300 |
氢键供体数量 |
1 |
氢键受体数量 |
7 |
可旋转化学键数量 |
5 |
同位素质量 |
426.1232294g/mol |
重原子数量 |
29 |
复杂度 |
674 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
拓扑分子极性表面积 |
95.1Ų |
海关数据
海关编码 |
2935009090 |
海关数据 |
中国海关编码:
2935009090
概述:
2935009090 其他磺(酰)胺. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:35.0%
申报要素:
品名, 成分含量, 用途
Summary:
2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%
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