5-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one

C13H11F3N2O3S — CID 140928206

IUPAC5-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1c[nH]c(=O)cn1
InChIInChI=1S/C13H11F3N2O3S/c1-2-22(20,21)11-5-8(13(14,15)16)3-4-9(11)10-6-18-12(19)7-17-10/h3-7H,2H2,1H3,(H,18,19)
InChIKeyUDDBKDHEVNHOKE-UHFFFAOYSA-N
MW332.30 g/mol
LogP2.25
Rot. Bonds3

About 5-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one

5-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one (PubChem CID 140928206) has the molecular formula C13H11F3N2O3S and a molecular weight of 332.30 g/mol. Its IUPAC name is 5-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one
PubChem CID140928206
Molecular FormulaC13H11F3N2O3S
Molecular Weight332.30 g/mol
Exact Mass332.04
IUPAC Name5-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1c[nH]c(=O)cn1
InChIInChI=1S/C13H11F3N2O3S/c1-2-22(20,21)11-5-8(13(14,15)16)3-4-9(11)10-6-18-12(19)7-17-10/h3-7H,2H2,1H3,(H,18,19)
InChIKeyUDDBKDHEVNHOKE-UHFFFAOYSA-N
XLogP2.25
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one 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-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]pyrimidin-5-ol
CID 129119909
[2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methanol
CID 140939422
2-ethylsulfonyl-1-fluoro-4-(trifluoromethyl)benzene
CID 157365281
ethyl 2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxylate
CID 129248575
2-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
CID 154619154
2-(4-tert-butyl-2-ethylsulfonylphenyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 155076701
2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole
CID 154619153
3-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-6-methylpyridazine
CID 145380726
5-[4-(propylamino)phenyl]-1H-pyrazin-2-one
CID 70078823
5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrazin-2-one
CID 137183406
2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole
CID 154619151
lithium;hydride;5-(trifluoromethyl)-1H-pyridin-2-one
CID 175395479

Frequently Asked Questions

What is the IUPAC name of 5-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one (CID 140928206) is 5-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one is CCS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1c[nH]c(=O)cn1.
What is the InChIKey of 5-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one?
The InChIKey is UDDBKDHEVNHOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3S/c1-2-22(20,21)11-5-8(13(14,15)16)3-4-9(11)10-6-18-12(19)7-17-10/h3-7H,2H2,1H3,(H,18,19).
What are the key properties of 5-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one?
5-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one has a molecular weight of 332.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethylsulfonyl-4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one is sourced from PubChem (CID 140928206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).