3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-(3-fluorophenyl)pyrazin-2-one

C18H12ClFN2O2S — CID 20941787

IUPAC3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-(3-fluorophenyl)pyrazin-2-one
SMILESO=C(CSc1nccn(-c2cccc(F)c2)c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClFN2O2S/c19-13-6-4-12(5-7-13)16(23)11-25-17-18(24)22(9-8-21-17)15-3-1-2-14(20)10-15/h1-10H,11H2
InChIKeyVLPZAYPJONNDBY-UHFFFAOYSA-N
MW374.82 g/mol
LogP4.00
Rot. Bonds5

About 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-(3-fluorophenyl)pyrazin-2-one

3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-(3-fluorophenyl)pyrazin-2-one (PubChem CID 20941787) has the molecular formula C18H12ClFN2O2S and a molecular weight of 374.82 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-(3-fluorophenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-(3-fluorophenyl)pyrazin-2-one
PubChem CID20941787
Molecular FormulaC18H12ClFN2O2S
Molecular Weight374.82 g/mol
Exact Mass374.03
IUPAC Name3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-(3-fluorophenyl)pyrazin-2-one
SMILESO=C(CSc1nccn(-c2cccc(F)c2)c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClFN2O2S/c19-13-6-4-12(5-7-13)16(23)11-25-17-18(24)22(9-8-21-17)15-3-1-2-14(20)10-15/h1-10H,11H2
InChIKeyVLPZAYPJONNDBY-UHFFFAOYSA-N
XLogP4.00
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-(3-fluorophenyl)pyrazin-2-one?
The IUPAC name of 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-(3-fluorophenyl)pyrazin-2-one (CID 20941787) is 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-(3-fluorophenyl)pyrazin-2-one.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-(3-fluorophenyl)pyrazin-2-one?
The canonical SMILES for 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-(3-fluorophenyl)pyrazin-2-one is O=C(CSc1nccn(-c2cccc(F)c2)c1=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-(3-fluorophenyl)pyrazin-2-one?
The InChIKey is VLPZAYPJONNDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2O2S/c19-13-6-4-12(5-7-13)16(23)11-25-17-18(24)22(9-8-21-17)15-3-1-2-14(20)10-15/h1-10H,11H2.
What are the key properties of 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-(3-fluorophenyl)pyrazin-2-one?
3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-(3-fluorophenyl)pyrazin-2-one has a molecular weight of 374.82 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-(3-fluorophenyl)pyrazin-2-one is sourced from PubChem (CID 20941787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).