2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]pyrimidin-5-ol

C13H11F3N2O3S — CID 129119909

IUPAC2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]pyrimidin-5-ol
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ncc(O)cn1
InChIInChI=1S/C13H11F3N2O3S/c1-2-22(20,21)11-5-8(13(14,15)16)3-4-10(11)12-17-6-9(19)7-18-12/h3-7,19H,2H2,1H3
InChIKeyANGSCYYAUZFQMT-UHFFFAOYSA-N
MW332.30 g/mol
LogP2.66
Rot. Bonds3

About 2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]pyrimidin-5-ol

2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]pyrimidin-5-ol (PubChem CID 129119909) has the molecular formula C13H11F3N2O3S and a molecular weight of 332.30 g/mol. Its IUPAC name is 2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]pyrimidin-5-ol.

Molecular Properties

Compound Name2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]pyrimidin-5-ol
PubChem CID129119909
Molecular FormulaC13H11F3N2O3S
Molecular Weight332.30 g/mol
Exact Mass332.04
IUPAC Name2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]pyrimidin-5-ol
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ncc(O)cn1
InChIInChI=1S/C13H11F3N2O3S/c1-2-22(20,21)11-5-8(13(14,15)16)3-4-10(11)12-17-6-9(19)7-18-12/h3-7,19H,2H2,1H3
InChIKeyANGSCYYAUZFQMT-UHFFFAOYSA-N
XLogP2.66
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methanol
CID 140939422
5-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one
CID 140928206
ethyl 2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxylate
CID 129248575
2-ethylsulfonyl-1-fluoro-4-(trifluoromethyl)benzene
CID 157365281
2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
CID 154619154
3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]benzoyl chloride
CID 90382210
3-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-6-methylpyridazine
CID 145380726
2-ethylsulfonylpyrimidin-5-ol
CID 75480817
5-(1,1-difluoroethyl)-3-ethylsulfonylpyridine-2-carboxylic acid
CID 162442570
2-(4-tert-butyl-2-ethylsulfonylphenyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 155076701
[1-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanol
CID 129248810
2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole
CID 154619153

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]pyrimidin-5-ol?
The IUPAC name of 2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]pyrimidin-5-ol (CID 129119909) is 2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]pyrimidin-5-ol.
What is the SMILES notation for 2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]pyrimidin-5-ol?
The canonical SMILES for 2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]pyrimidin-5-ol is CCS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ncc(O)cn1.
What is the InChIKey of 2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]pyrimidin-5-ol?
The InChIKey is ANGSCYYAUZFQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3S/c1-2-22(20,21)11-5-8(13(14,15)16)3-4-10(11)12-17-6-9(19)7-18-12/h3-7,19H,2H2,1H3.
What are the key properties of 2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]pyrimidin-5-ol?
2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]pyrimidin-5-ol has a molecular weight of 332.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]pyrimidin-5-ol is sourced from PubChem (CID 129119909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).