2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine

C19H17FN2O2S — CID 167640304

IUPAC2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine
SMILESCS(=O)(=O)c1ccc(-c2cncc(CCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H17FN2O2S/c1-25(23,24)18-10-5-15(6-11-18)19-13-21-12-17(22-19)9-4-14-2-7-16(20)8-3-14/h2-3,5-8,10-13H,4,9H2,1H3
InChIKeyPBOHIXSYBFZIQT-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.47
Rot. Bonds5

About 2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine

2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine (PubChem CID 167640304) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine
PubChem CID167640304
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine
SMILESCS(=O)(=O)c1ccc(-c2cncc(CCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H17FN2O2S/c1-25(23,24)18-10-5-15(6-11-18)19-13-21-12-17(22-19)9-4-14-2-7-16(20)8-3-14/h2-3,5-8,10-13H,4,9H2,1H3
InChIKeyPBOHIXSYBFZIQT-UHFFFAOYSA-N
XLogP3.47
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine
CID 167542082
6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid
CID 77089426
4-(4-fluorophenyl)-1-[6-(4-methylsulfonylphenyl)pyrazin-2-yl]piperidin-4-ol
CID 155263877
3-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-1,2,4-oxadiazole
CID 136525561
2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 54094069
2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole
CID 18463533
2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine
CID 167564562
5-(chloromethyl)-2-(4-methylsulfonylphenyl)pyridine
CID 146419326
2-[(4-fluorophenyl)methoxy]-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine
CID 69159158
2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole
CID 51327833
2-chloro-6-(4-fluorophenyl)pyrazine;ethane
CID 178127340
3-(4-methylphenyl)-5-[(4-methylsulfonylphenyl)methylsulfonyl]-1H-1,2,4-triazole
CID 136541420

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine?
The IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine (CID 167640304) is 2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine is CS(=O)(=O)c1ccc(-c2cncc(CCc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine?
The InChIKey is PBOHIXSYBFZIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-25(23,24)18-10-5-15(6-11-18)19-13-21-12-17(22-19)9-4-14-2-7-16(20)8-3-14/h2-3,5-8,10-13H,4,9H2,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine?
2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine has a molecular weight of 356.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine is sourced from PubChem (CID 167640304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).