3-(benzenesulfonyl)-1-phenylpyrrolidine-2,5-dione

C16H13NO4S — CID 14610963

IUPAC3-(benzenesulfonyl)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(S(=O)(=O)c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H13NO4S/c18-15-11-14(22(20,21)13-9-5-2-6-10-13)16(19)17(15)12-7-3-1-4-8-12/h1-10,14H,11H2
InChIKeyPPMKHMWTZSQMRV-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.79
Rot. Bonds3

About 3-(benzenesulfonyl)-1-phenylpyrrolidine-2,5-dione

3-(benzenesulfonyl)-1-phenylpyrrolidine-2,5-dione (PubChem CID 14610963) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-phenylpyrrolidine-2,5-dione
PubChem CID14610963
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC Name3-(benzenesulfonyl)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(S(=O)(=O)c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H13NO4S/c18-15-11-14(22(20,21)13-9-5-2-6-10-13)16(19)17(15)12-7-3-1-4-8-12/h1-10,14H,11H2
InChIKeyPPMKHMWTZSQMRV-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 6973950
(3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
CID 138974226
3-ethylsulfonyl-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 132566777
1,4-diphenylpiperidine-2,6-dione
CID 2812798
(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione
CID 6543666
1-phenyl-3-(2-phenylhydrazinyl)pyrrolidine-2,5-dione
CID 3731496
[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
CID 7434877
dibenzyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
CID 7434882
3-[3-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylpropylsulfanyl]-1-phenylpyrrolidine-2,5-dione
CID 132966697
[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
CID 7434876
(3S)-3-[(1S)-1-hydroxybutyl]-1-phenylpyrrolidine-2,5-dione
CID 101392565
3-cyclopentylsulfonyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 13291999

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(benzenesulfonyl)-1-phenylpyrrolidine-2,5-dione (CID 14610963) is 3-(benzenesulfonyl)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(benzenesulfonyl)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(benzenesulfonyl)-1-phenylpyrrolidine-2,5-dione is O=C1CC(S(=O)(=O)c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is PPMKHMWTZSQMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c18-15-11-14(22(20,21)13-9-5-2-6-10-13)16(19)17(15)12-7-3-1-4-8-12/h1-10,14H,11H2.
What are the key properties of 3-(benzenesulfonyl)-1-phenylpyrrolidine-2,5-dione?
3-(benzenesulfonyl)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 315.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 14610963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).