5-chloro-3-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one

C17H10ClF3N2OS — CID 102186244

IUPAC5-chloro-3-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one
SMILESO=c1c(Sc2ccccc2)nc(Cl)cn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10ClF3N2OS/c18-14-10-23(12-6-4-5-11(9-12)17(19,20)21)16(24)15(22-14)25-13-7-2-1-3-8-13/h1-10H
InChIKeyDHLRFOXVEYLIRT-UHFFFAOYSA-N
MW382.79 g/mol
LogP5.06
Rot. Bonds3

About 5-chloro-3-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one

5-chloro-3-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one (PubChem CID 102186244) has the molecular formula C17H10ClF3N2OS and a molecular weight of 382.79 g/mol. Its IUPAC name is 5-chloro-3-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-3-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one
PubChem CID102186244
Molecular FormulaC17H10ClF3N2OS
Molecular Weight382.79 g/mol
Exact Mass382.02
IUPAC Name5-chloro-3-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one
SMILESO=c1c(Sc2ccccc2)nc(Cl)cn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10ClF3N2OS/c18-14-10-23(12-6-4-5-11(9-12)17(19,20)21)16(24)15(22-14)25-13-7-2-1-3-8-13/h1-10H
InChIKeyDHLRFOXVEYLIRT-UHFFFAOYSA-N
XLogP5.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.79
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-oxo-2-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxylic acid
CID 4101882
5-cyano-2-oxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-4-olate
CID 51372824
3-(4-fluorophenyl)-4-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110544764
phenylsulfanylbenzene;trifluoromethylbenzene
CID 171924180
3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 18439300
3-phenylsulfanyl-4-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110554086
N-benzyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 160523157
8-chloro-1,3-dimethyl-7-[3-(trifluoromethyl)phenyl]purine-2,6-dione
CID 57498908
2-[3-(trifluoromethyl)phenyl]phthalazin-1-one
CID 2380587
2-[(E)-2-pyridin-4-ylethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 6138619
3-chloro-4-[hydroxy(methyl)amino]-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 88847440
2,4-dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,2,4-triazine-3,5-dione
CID 58269761

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one?
The IUPAC name of 5-chloro-3-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one (CID 102186244) is 5-chloro-3-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one.
What is the SMILES notation for 5-chloro-3-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one?
The canonical SMILES for 5-chloro-3-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one is O=c1c(Sc2ccccc2)nc(Cl)cn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-chloro-3-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one?
The InChIKey is DHLRFOXVEYLIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2OS/c18-14-10-23(12-6-4-5-11(9-12)17(19,20)21)16(24)15(22-14)25-13-7-2-1-3-8-13/h1-10H.
What are the key properties of 5-chloro-3-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one?
5-chloro-3-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one has a molecular weight of 382.79 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one is sourced from PubChem (CID 102186244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).