3-(benzenesulfinyl)-1-phenylpyrrole-2,5-dione

C16H11NO3S — CID 11109260

IUPAC3-(benzenesulfinyl)-1-phenylpyrrole-2,5-dione
SMILESO=C1C=C(S(=O)c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H11NO3S/c18-15-11-14(21(20)13-9-5-2-6-10-13)16(19)17(15)12-7-3-1-4-8-12/h1-11H
InChIKeyYURAGAMCVYWMEN-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.25
Rot. Bonds3

About 3-(benzenesulfinyl)-1-phenylpyrrole-2,5-dione

3-(benzenesulfinyl)-1-phenylpyrrole-2,5-dione (PubChem CID 11109260) has the molecular formula C16H11NO3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-(benzenesulfinyl)-1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(benzenesulfinyl)-1-phenylpyrrole-2,5-dione
PubChem CID11109260
Molecular FormulaC16H11NO3S
Molecular Weight297.34 g/mol
Exact Mass297.05
IUPAC Name3-(benzenesulfinyl)-1-phenylpyrrole-2,5-dione
SMILESO=C1C=C(S(=O)c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H11NO3S/c18-15-11-14(21(20)13-9-5-2-6-10-13)16(19)17(15)12-7-3-1-4-8-12/h1-11H
InChIKeyYURAGAMCVYWMEN-UHFFFAOYSA-N
XLogP2.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_imide_A(1)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfinyl)-1-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(benzenesulfinyl)-1-phenylpyrrole-2,5-dione (CID 11109260) is 3-(benzenesulfinyl)-1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(benzenesulfinyl)-1-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(benzenesulfinyl)-1-phenylpyrrole-2,5-dione is O=C1C=C(S(=O)c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-(benzenesulfinyl)-1-phenylpyrrole-2,5-dione?
The InChIKey is YURAGAMCVYWMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3S/c18-15-11-14(21(20)13-9-5-2-6-10-13)16(19)17(15)12-7-3-1-4-8-12/h1-11H.
What are the key properties of 3-(benzenesulfinyl)-1-phenylpyrrole-2,5-dione?
3-(benzenesulfinyl)-1-phenylpyrrole-2,5-dione has a molecular weight of 297.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfinyl)-1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 11109260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).