3-(4-fluorophenyl)sulfanyl-1-methylpyrrole-2,5-dione

C11H8FNO2S — CID 14762051

IUPAC3-(4-fluorophenyl)sulfanyl-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=C(Sc2ccc(F)cc2)C1=O
InChIInChI=1S/C11H8FNO2S/c1-13-10(14)6-9(11(13)15)16-8-4-2-7(12)3-5-8/h2-6H,1H3
InChIKeyTUMZEBNDZXLZIQ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.80
Rot. Bonds2

About 3-(4-fluorophenyl)sulfanyl-1-methylpyrrole-2,5-dione

3-(4-fluorophenyl)sulfanyl-1-methylpyrrole-2,5-dione (PubChem CID 14762051) has the molecular formula C11H8FNO2S and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-1-methylpyrrole-2,5-dione
PubChem CID14762051
Molecular FormulaC11H8FNO2S
Molecular Weight237.25 g/mol
Exact Mass237.03
IUPAC Name3-(4-fluorophenyl)sulfanyl-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=C(Sc2ccc(F)cc2)C1=O
InChIInChI=1S/C11H8FNO2S/c1-13-10(14)6-9(11(13)15)16-8-4-2-7(12)3-5-8/h2-6H,1H3
InChIKeyTUMZEBNDZXLZIQ-UHFFFAOYSA-N
XLogP1.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-fluorophenyl)sulfanyl-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-1-methylpyrrole-2,5-dione (CID 14762051) is 3-(4-fluorophenyl)sulfanyl-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-1-methylpyrrole-2,5-dione is CN1C(=O)C=C(Sc2ccc(F)cc2)C1=O.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-1-methylpyrrole-2,5-dione?
The InChIKey is TUMZEBNDZXLZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S/c1-13-10(14)6-9(11(13)15)16-8-4-2-7(12)3-5-8/h2-6H,1H3.
What are the key properties of 3-(4-fluorophenyl)sulfanyl-1-methylpyrrole-2,5-dione?
3-(4-fluorophenyl)sulfanyl-1-methylpyrrole-2,5-dione has a molecular weight of 237.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 14762051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).