2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylethanol

C12H11F3N2O3S — CID 70300217

IUPAC2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylethanol
SMILESO=S(=O)(CCO)c1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H11F3N2O3S/c13-12(14,15)11-5-6-17(16-11)9-1-3-10(4-2-9)21(19,20)8-7-18/h1-6,18H,7-8H2
InChIKeyHUXPDVPULPSBMN-UHFFFAOYSA-N
MW320.29 g/mol
LogP1.66
Rot. Bonds4

About 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylethanol

2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylethanol (PubChem CID 70300217) has the molecular formula C12H11F3N2O3S and a molecular weight of 320.29 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylethanol.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylethanol
PubChem CID70300217
Molecular FormulaC12H11F3N2O3S
Molecular Weight320.29 g/mol
Exact Mass320.04
IUPAC Name2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylethanol
SMILESO=S(=O)(CCO)c1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H11F3N2O3S/c13-12(14,15)11-5-6-17(16-11)9-1-3-10(4-2-9)21(19,20)8-7-18/h1-6,18H,7-8H2
InChIKeyHUXPDVPULPSBMN-UHFFFAOYSA-N
XLogP1.66
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1H-pyrazol-1-yl)benzene-1-sulfonyl chloride
CID 2776475
Benzenesulfonamide, 3-fluoro-4-(1H-pyrazol-1-yl)-
CID 54594288
3-fluoro-4-(1H-pyrazol-1-yl)benzene-1-sulfonyl chloride
CID 54594289
1-(4-Chlorophenyl)sulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 2809233
3-(Ethylsulfonylmethyl)-1-(3-fluorophenyl)pyrazole
CID 53582987
3-(2-Ethoxyethylsulfonylmethyl)-1-(3-fluorophenyl)pyrazole
CID 53583013
3-[[1-(3-fluorophenyl)pyrazol-3-yl]methylsulfonyl]-N,N-dimethylpropanamide
CID 53598652
1-(3-Fluorophenyl)-3-(3-methylbut-2-enylsulfonylmethyl)pyrazole
CID 53608284
2-[[1-(3-fluorophenyl)pyrazol-3-yl]methylsulfonyl]-N,N-dimethylacetamide
CID 53619853
2-methoxy-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanesulfonamide
CID 72007012
5-Methyl-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
CID 146166306
3-Methyl-1-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole
CID 146166449

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylethanol?
The IUPAC name of 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylethanol (CID 70300217) is 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylethanol.
What is the SMILES notation for 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylethanol?
The canonical SMILES for 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylethanol is O=S(=O)(CCO)c1ccc(-n2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylethanol?
The InChIKey is HUXPDVPULPSBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3S/c13-12(14,15)11-5-6-17(16-11)9-1-3-10(4-2-9)21(19,20)8-7-18/h1-6,18H,7-8H2.
What are the key properties of 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylethanol?
2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylethanol has a molecular weight of 320.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylethanol is sourced from PubChem (CID 70300217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).