2-ethylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

C11H9F3N2O2S2 — CID 17024838

IUPAC2-ethylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N2O2S2/c1-2-20(17,18)10-15-7(8-4-3-5-19-8)6-9(16-10)11(12,13)14/h3-6H,2H2,1H3
InChIKeyFOUVXIDXQISCLY-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.02
Rot. Bonds3

About 2-ethylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

2-ethylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 17024838) has the molecular formula C11H9F3N2O2S2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-ethylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-ethylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID17024838
Molecular FormulaC11H9F3N2O2S2
Molecular Weight322.33 g/mol
Exact Mass322.01
IUPAC Name2-ethylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N2O2S2/c1-2-20(17,18)10-15-7(8-4-3-5-19-8)6-9(16-10)11(12,13)14/h3-6H,2H2,1H3
InChIKeyFOUVXIDXQISCLY-UHFFFAOYSA-N
XLogP3.02
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
CID 3245258
4-Methyl-2-methylsulfonyl-6-thiophen-2-ylpyrimidine
CID 97755228
Ethyl 3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate
CID 134201900
2-(2-Phenylethylsulfonyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
CID 134201967
2-(4-Methylsulfonylphenyl)-4-(thiophen-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidine
CID 44456885
2-((4-(Thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetic acid
CID 777466
3-(4-Thiophen-2-yl-6-trifluoromethyl-pyrimidine-2-sulfonyl)-propionic acid
CID 1133592
2-Methylsulfonyl-4,6-dithiophen-2-ylpyrimidine
CID 134201955
2-[(4-Phenylphenyl)methylsulfinyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
CID 134201829
1-[2-[4-Thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylethyl]pyrrolidin-2-one
CID 134201982
Methyl 4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylbutanoate
CID 134201983
2-(2-Phenylethylsulfinyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
CID 134202039

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-ethylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine (CID 17024838) is 2-ethylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-ethylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-ethylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine is CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-ethylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is FOUVXIDXQISCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2S2/c1-2-20(17,18)10-15-7(8-4-3-5-19-8)6-9(16-10)11(12,13)14/h3-6H,2H2,1H3.
What are the key properties of 2-ethylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
2-ethylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 322.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 17024838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).