1-(3,4-difluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione

C15H10F2N2O2S — CID 17035942

IUPAC1-(3,4-difluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2ccccn2)C(=O)N1c1ccc(F)c(F)c1
InChIInChI=1S/C15H10F2N2O2S/c16-10-5-4-9(7-11(10)17)19-14(20)8-12(15(19)21)22-13-3-1-2-6-18-13/h1-7,12H,8H2
InChIKeyRARBRHFCEJBPIM-UHFFFAOYSA-N
MW320.32 g/mol
LogP2.78
Rot. Bonds3

About 1-(3,4-difluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione

1-(3,4-difluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione (PubChem CID 17035942) has the molecular formula C15H10F2N2O2S and a molecular weight of 320.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
PubChem CID17035942
Molecular FormulaC15H10F2N2O2S
Molecular Weight320.32 g/mol
Exact Mass320.04
IUPAC Name1-(3,4-difluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2ccccn2)C(=O)N1c1ccc(F)c(F)c1
InChIInChI=1S/C15H10F2N2O2S/c16-10-5-4-9(7-11(10)17)19-14(20)8-12(15(19)21)22-13-3-1-2-6-18-13/h1-7,12H,8H2
InChIKeyRARBRHFCEJBPIM-UHFFFAOYSA-N
XLogP2.78
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(4-fluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
CID 702871
(3S)-1-(4-bromophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
CID 980659
1-(3,4-difluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpyrrolidine-2,5-dione
CID 17035935
(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
CID 98568401
(3S)-1-(3,4-difluorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 29158192
(3S)-1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 29101479
1-(3,4-difluorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
CID 17035940
(3S)-1-(3,4-difluorophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
CID 29158175
(3S)-1-(2,3-dichlorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
CID 1167706
2-[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid
CID 2242197
(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
CID 98234939
3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 138975835

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3,4-difluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione (CID 17035942) is 1-(3,4-difluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione is O=C1CC(Sc2ccccn2)C(=O)N1c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione?
The InChIKey is RARBRHFCEJBPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2S/c16-10-5-4-9(7-11(10)17)19-14(20)8-12(15(19)21)22-13-3-1-2-6-18-13/h1-7,12H,8H2.
What are the key properties of 1-(3,4-difluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione?
1-(3,4-difluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione has a molecular weight of 320.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 17035942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).