1-(4-phenylphenyl)sulfonylpyrrolidine-2,5-dione

C16H13NO4S — CID 164617594

IUPAC1-(4-phenylphenyl)sulfonylpyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H13NO4S/c18-15-10-11-16(19)17(15)22(20,21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyKYCWBGVSQSFKED-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.19
Rot. Bonds3

About 1-(4-phenylphenyl)sulfonylpyrrolidine-2,5-dione

1-(4-phenylphenyl)sulfonylpyrrolidine-2,5-dione (PubChem CID 164617594) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-(4-phenylphenyl)sulfonylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-phenylphenyl)sulfonylpyrrolidine-2,5-dione
PubChem CID164617594
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC Name1-(4-phenylphenyl)sulfonylpyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H13NO4S/c18-15-10-11-16(19)17(15)22(20,21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyKYCWBGVSQSFKED-UHFFFAOYSA-N
XLogP2.19
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-phenylphenyl)sulfonylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)sulfonylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-phenylphenyl)sulfonylpyrrolidine-2,5-dione (CID 164617594) is 1-(4-phenylphenyl)sulfonylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-phenylphenyl)sulfonylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-phenylphenyl)sulfonylpyrrolidine-2,5-dione is O=C1CCC(=O)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)sulfonylpyrrolidine-2,5-dione?
The InChIKey is KYCWBGVSQSFKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c18-15-10-11-16(19)17(15)22(20,21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 1-(4-phenylphenyl)sulfonylpyrrolidine-2,5-dione?
1-(4-phenylphenyl)sulfonylpyrrolidine-2,5-dione has a molecular weight of 315.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)sulfonylpyrrolidine-2,5-dione is sourced from PubChem (CID 164617594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).