1-(2-phenylsulfanylphenyl)pyrrole-2,5-dione

C16H11NO2S — CID 2392352

IUPAC1-(2-phenylsulfanylphenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccccc1Sc1ccccc1
InChIInChI=1S/C16H11NO2S/c18-15-10-11-16(19)17(15)13-8-4-5-9-14(13)20-12-6-2-1-3-7-12/h1-11H
InChIKeyONVVECCVKKPNES-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.27
Rot. Bonds3

About 1-(2-phenylsulfanylphenyl)pyrrole-2,5-dione

1-(2-phenylsulfanylphenyl)pyrrole-2,5-dione (PubChem CID 2392352) has the molecular formula C16H11NO2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 1-(2-phenylsulfanylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-phenylsulfanylphenyl)pyrrole-2,5-dione
PubChem CID2392352
Molecular FormulaC16H11NO2S
Molecular Weight281.34 g/mol
Exact Mass281.05
IUPAC Name1-(2-phenylsulfanylphenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccccc1Sc1ccccc1
InChIInChI=1S/C16H11NO2S/c18-15-10-11-16(19)17(15)13-8-4-5-9-14(13)20-12-6-2-1-3-7-12/h1-11H
InChIKeyONVVECCVKKPNES-UHFFFAOYSA-N
XLogP3.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.27
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 1-(2-phenylsulfanylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-phenylsulfanylphenyl)pyrrole-2,5-dione (CID 2392352) is 1-(2-phenylsulfanylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-phenylsulfanylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-phenylsulfanylphenyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccccc1Sc1ccccc1.
What is the InChIKey of 1-(2-phenylsulfanylphenyl)pyrrole-2,5-dione?
The InChIKey is ONVVECCVKKPNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2S/c18-15-10-11-16(19)17(15)13-8-4-5-9-14(13)20-12-6-2-1-3-7-12/h1-11H.
What are the key properties of 1-(2-phenylsulfanylphenyl)pyrrole-2,5-dione?
1-(2-phenylsulfanylphenyl)pyrrole-2,5-dione has a molecular weight of 281.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylsulfanylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 2392352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).