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

C18H12ClFN2O2S — CID 20941850

IUPAC1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one
SMILESO=C(CSc1nccn(-c2cccc(Cl)c2)c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H12ClFN2O2S/c19-13-2-1-3-15(10-13)22-9-8-21-17(18(22)24)25-11-16(23)12-4-6-14(20)7-5-12/h1-10H,11H2
InChIKeyDBJJYBNLONFJAP-UHFFFAOYSA-N
MW374.82 g/mol
LogP4.00
Rot. Bonds5

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

1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one (PubChem CID 20941850) has the molecular formula C18H12ClFN2O2S and a molecular weight of 374.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one
PubChem CID20941850
Molecular FormulaC18H12ClFN2O2S
Molecular Weight374.82 g/mol
Exact Mass374.03
IUPAC Name1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one
SMILESO=C(CSc1nccn(-c2cccc(Cl)c2)c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H12ClFN2O2S/c19-13-2-1-3-15(10-13)22-9-8-21-17(18(22)24)25-11-16(23)12-4-6-14(20)7-5-12/h1-10H,11H2
InChIKeyDBJJYBNLONFJAP-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 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one (CID 20941850) is 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one is O=C(CSc1nccn(-c2cccc(Cl)c2)c1=O)c1ccc(F)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one?
The InChIKey is DBJJYBNLONFJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2O2S/c19-13-2-1-3-15(10-13)22-9-8-21-17(18(22)24)25-11-16(23)12-4-6-14(20)7-5-12/h1-10H,11H2.
What are the key properties of 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one?
1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-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 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyrazin-2-one is sourced from PubChem (CID 20941850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).