CAS号:293754-55-9-T0901317 - N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide-科华智慧

1. 主信息

英文名:	N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide
中文名:	T0901317
CAS编号:	293754-55-9
化学分子式：	C₁₇H₁₂F₉NO₃S
化学分子量：	481.3 g/mol
SMILES：	C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O
来源：	合成化合物
结构类型：	-
其它名称或标识：	N-(2,2,2-Trifluoroethyl)-N-(4-(2,2,2-trifluoro-1- hydroxy-1-trifluoromethylethyl)phenyl)benzenesulfonamide N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxy-propan-2-yl)phenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide T 0901317 T 1371

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	5mg	99%	192	-20℃	现货	-
科华智慧	10mg	99%	268	-20℃	现货	-
科华智慧	25mg	99%	384	-20℃	现货	-
科华智慧	50mg	99%	688	-20℃	现货	-
科华智慧	100mg	99%	960	-20℃	现货	-
科华智慧	200mg	99%	1856	-20℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 43 44 0 1 0 0 0 0 0999 V2000 3.1168 -0.4506 1.1166 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5195 -1.5274 1.6392 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5187 -1.7877 -0.5271 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.3058 -1.0682 0.4809 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6529 0.5136 -2.0543 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 2.4268 -1.0233 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.4394 1.0117 -0.9050 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2427 3.2006 -1.6109 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8405 3.6023 0.0091 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6252 2.3953 0.3785 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0217 1.1687 1.4466 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6256 -0.6208 2.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5409 -0.2798 0.8939 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2466 0.8358 0.3269 N 0 0 2 0 0 0 0 0 0 0 0 0 -3.4497 0.4579 0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9617 0.5565 0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 0.7406 0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8886 1.4186 -0.8928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3141 1.3146 1.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2172 -0.1093 -0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0777 1.4065 1.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1746 -0.0173 -0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 -0.9942 0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0931 1.1104 -0.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6178 -1.8845 0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6536 2.6634 -0.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3554 -2.2660 -0.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5021 -2.5882 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9624 -3.3940 -1.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1091 -3.7161 -0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8392 -4.1191 -1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1342 1.6808 -1.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5532 0.6923 -1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 1.8497 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6889 -0.6966 -1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5736 2.0003 2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -0.5177 -1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9886 1.0725 1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2303 -1.7141 -1.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 -2.2917 1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5302 -3.7072 -2.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2338 -4.2800 0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5328 -4.9970 -1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 1 13 2 0 0 0 0 1 14 1 0 0 0 0 1 25 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 5 24 1 0 0 0 0 6 24 1 0 0 0 0 7 24 1 0 0 0 0 8 26 1 0 0 0 0 9 26 1 0 0 0 0 10 26 1 0 0 0 0 11 15 1 0 0 0 0 11 38 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 26 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 27 29 1 0 0 0 0 27 39 1 0 0 0 0 28 30 2 0 0 0 0 28 40 1 0 0 0 0 29 31 2 0 0 0 0 29 41 1 0 0 0 0 30 31 1 0 0 0 0 30 42 1 0 0 0 0 31 43 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide

4.2 InChl

InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2

4.3 InChlKey

SGIWFELWJPNFDH-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型