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

C15H11FN2O2S — CID 2919299

IUPAC1-(4-fluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2ccccn2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C15H11FN2O2S/c16-10-4-6-11(7-5-10)18-14(19)9-12(15(18)20)21-13-3-1-2-8-17-13/h1-8,12H,9H2
InChIKeyHGLJFHIZYFFNEK-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.64
Rot. Bonds3

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

1-(4-fluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione (PubChem CID 2919299) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
PubChem CID2919299
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name1-(4-fluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2ccccn2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C15H11FN2O2S/c16-10-4-6-11(7-5-10)18-14(19)9-12(15(18)20)21-13-3-1-2-8-17-13/h1-8,12H,9H2
InChIKeyHGLJFHIZYFFNEK-UHFFFAOYSA-N
XLogP2.64
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione (CID 2919299) is 1-(4-fluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione is O=C1CC(Sc2ccccn2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione?
The InChIKey is HGLJFHIZYFFNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-10-4-6-11(7-5-10)18-14(19)9-12(15(18)20)21-13-3-1-2-8-17-13/h1-8,12H,9H2.
What are the key properties of 1-(4-fluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione?
1-(4-fluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione has a molecular weight of 302.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-pyridin-2-ylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 2919299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).