3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)pyrazin-2-one

C17H11ClF2N2OS — CID 20941794

IUPAC3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)pyrazin-2-one
SMILESO=c1c(SCc2c(F)cccc2Cl)nccn1-c1cccc(F)c1
InChIInChI=1S/C17H11ClF2N2OS/c18-14-5-2-6-15(20)13(14)10-24-16-17(23)22(8-7-21-16)12-4-1-3-11(19)9-12/h1-9H,10H2
InChIKeyOBAAVDVURNAYJN-UHFFFAOYSA-N
MW364.80 g/mol
LogP4.46
Rot. Bonds4

About 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)pyrazin-2-one

3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)pyrazin-2-one (PubChem CID 20941794) has the molecular formula C17H11ClF2N2OS and a molecular weight of 364.80 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)pyrazin-2-one
PubChem CID20941794
Molecular FormulaC17H11ClF2N2OS
Molecular Weight364.80 g/mol
Exact Mass364.02
IUPAC Name3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)pyrazin-2-one
SMILESO=c1c(SCc2c(F)cccc2Cl)nccn1-c1cccc(F)c1
InChIInChI=1S/C17H11ClF2N2OS/c18-14-5-2-6-15(20)13(14)10-24-16-17(23)22(8-7-21-16)12-4-1-3-11(19)9-12/h1-9H,10H2
InChIKeyOBAAVDVURNAYJN-UHFFFAOYSA-N
XLogP4.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Thiazolidinone, 2-(2,6-dichlorophenyl)-3-phenyl-
CID 486674
2-[(2-chlorobenzyl)sulfonyl]-N-methyl-N-phenylacetamide
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2-{[(2-Chlorophenyl)methyl]sulfanyl}-1-[4-(4-fluorophenyl)piperazin-1-YL]ethan-1-one
CID 3567687
2-{[(2-Chlorophenyl)methyl]sulfanyl}-1-[4-(4-chlorophenyl)piperazin-1-YL]ethan-1-one
CID 4119948
2-(2-Chloro-6-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 4247898
2-(2-Chloro-6-fluorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one
CID 4247900
N-[4-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 4351781
3-{[(2-Chlorophenyl)methyl]sulfanyl}-1-[4-(4-fluorophenyl)piperazin-1-YL]propan-1-one
CID 4988121
1-(2-chloro-6-fluorobenzyl)-4-phenylpyrazine-2,3(1H,4H)-dione
CID 16017713
N-(Butylsulfonyl)-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide
CID 130385891
N-[(2-Chloro-4-fluorophenyl)methyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]acetamide
CID 16008589
1-[4-(4-Chlorophenyl)piperazin-1-YL]-2-{[(4-fluorophenyl)methyl]sulfanyl}ethan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)pyrazin-2-one?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)pyrazin-2-one (CID 20941794) is 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)pyrazin-2-one.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)pyrazin-2-one?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)pyrazin-2-one is O=c1c(SCc2c(F)cccc2Cl)nccn1-c1cccc(F)c1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)pyrazin-2-one?
The InChIKey is OBAAVDVURNAYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2OS/c18-14-5-2-6-15(20)13(14)10-24-16-17(23)22(8-7-21-16)12-4-1-3-11(19)9-12/h1-9H,10H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)pyrazin-2-one?
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)pyrazin-2-one has a molecular weight of 364.80 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)pyrazin-2-one is sourced from PubChem (CID 20941794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).