3-[2-(difluoromethylsulfanyl)anilino]pyrrolidine-2,5-dione

C11H10F2N2O2S — CID 43637781

IUPAC3-[2-(difluoromethylsulfanyl)anilino]pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccccc2SC(F)F)C(=O)N1
InChIInChI=1S/C11H10F2N2O2S/c12-11(13)18-8-4-2-1-3-6(8)14-7-5-9(16)15-10(7)17/h1-4,7,11,14H,5H2,(H,15,16,17)
InChIKeyLFQURAVAJJOXIW-UHFFFAOYSA-N
MW272.28 g/mol
LogP1.83
Rot. Bonds4

About 3-[2-(difluoromethylsulfanyl)anilino]pyrrolidine-2,5-dione

3-[2-(difluoromethylsulfanyl)anilino]pyrrolidine-2,5-dione (PubChem CID 43637781) has the molecular formula C11H10F2N2O2S and a molecular weight of 272.28 g/mol. Its IUPAC name is 3-[2-(difluoromethylsulfanyl)anilino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(difluoromethylsulfanyl)anilino]pyrrolidine-2,5-dione
PubChem CID43637781
Molecular FormulaC11H10F2N2O2S
Molecular Weight272.28 g/mol
Exact Mass272.04
IUPAC Name3-[2-(difluoromethylsulfanyl)anilino]pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccccc2SC(F)F)C(=O)N1
InChIInChI=1S/C11H10F2N2O2S/c12-11(13)18-8-4-2-1-3-6(8)14-7-5-9(16)15-10(7)17/h1-4,7,11,14H,5H2,(H,15,16,17)
InChIKeyLFQURAVAJJOXIW-UHFFFAOYSA-N
XLogP1.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
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 3-[2-(difluoromethylsulfanyl)anilino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(difluoromethylsulfanyl)anilino]pyrrolidine-2,5-dione (CID 43637781) is 3-[2-(difluoromethylsulfanyl)anilino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(difluoromethylsulfanyl)anilino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(difluoromethylsulfanyl)anilino]pyrrolidine-2,5-dione is O=C1CC(Nc2ccccc2SC(F)F)C(=O)N1.
What is the InChIKey of 3-[2-(difluoromethylsulfanyl)anilino]pyrrolidine-2,5-dione?
The InChIKey is LFQURAVAJJOXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2S/c12-11(13)18-8-4-2-1-3-6(8)14-7-5-9(16)15-10(7)17/h1-4,7,11,14H,5H2,(H,15,16,17).
What are the key properties of 3-[2-(difluoromethylsulfanyl)anilino]pyrrolidine-2,5-dione?
3-[2-(difluoromethylsulfanyl)anilino]pyrrolidine-2,5-dione has a molecular weight of 272.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethylsulfanyl)anilino]pyrrolidine-2,5-dione is sourced from PubChem (CID 43637781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).