1-(benzenesulfonyl)pyrrolidine-2,5-dione

C10H9NO4S — CID 555214

IUPAC1-(benzenesulfonyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H9NO4S/c12-9-6-7-10(13)11(9)16(14,15)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyQKNHKZFLCNTIFR-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.52
Rot. Bonds2

About 1-(benzenesulfonyl)pyrrolidine-2,5-dione

1-(benzenesulfonyl)pyrrolidine-2,5-dione (PubChem CID 555214) has the molecular formula C10H9NO4S and a molecular weight of 239.25 g/mol. Its IUPAC name is 1-(benzenesulfonyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(benzenesulfonyl)pyrrolidine-2,5-dione
PubChem CID555214
Molecular FormulaC10H9NO4S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Name1-(benzenesulfonyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H9NO4S/c12-9-6-7-10(13)11(9)16(14,15)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyQKNHKZFLCNTIFR-UHFFFAOYSA-N
XLogP0.52
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.52
H-Bond Donors ≤ 50
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 1-(benzenesulfonyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(benzenesulfonyl)pyrrolidine-2,5-dione (CID 555214) is 1-(benzenesulfonyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(benzenesulfonyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(benzenesulfonyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)pyrrolidine-2,5-dione?
The InChIKey is QKNHKZFLCNTIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S/c12-9-6-7-10(13)11(9)16(14,15)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 1-(benzenesulfonyl)pyrrolidine-2,5-dione?
1-(benzenesulfonyl)pyrrolidine-2,5-dione has a molecular weight of 239.25 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 555214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).