1-Phenyl-3-[4-(phenylsulfonyl)-1-piperazinyl]-2,5-pyrrolidinedione
Basic information
- CAS
293766-07-1- Standard SMILES
O=C1CC(N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccccc1- InChIKey
SABICFKQWDLUMQ-UHFFFAOYSA-N- Molecular formula
- C20H21N3O4S
- Average molar mass
- 399.5 g/mol
Names & identifiers
- Preferred name
- 1-Phenyl-3-[4-(phenylsulfonyl)-1-piperazinyl]-2,5-pyrrolidinedione
- IUPAC
- 3-[4-(benzenesulfonyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
- English name
- 1-phenyl-3-[4-(phenylsulfonyl)piperazin-1-yl]pyrrolidine-2,5-dione
- Molecular formula
- C20H21N3O4S
- Molecular weight
- 399.46
Names & synonyms
293766-07-11-Phenyl-3-(4-(phenylsulfonyl)piperazin-1-yl)pyrrolidine-2,5-dione1-phenyl-3-[4-(phenylsulfonyl)-1-piperazinyl]-2,5-pyrrolidinedione3-[4-(benzenesulfonyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dioneCBDivE_0007051-phenyl-3-[4-(phenylsulfonyl)piperazin-1-yl]pyrrolidine-2,5-dioneCHEMBL1506994HMS2773B23STK097981AKOS005395782GI-568595EU-0048485
Show more names
2,5-Pyrrolidinedione, 1-phenyl-3-[4-(phenylsulfonyl)-1-piperazinyl]-
ST50908066H55275AG-690/33355033SR-01000112441SR-01000112441-11-phenyl-3-[4-(phenylsulfonyl)piperazinyl]azolidine-2,5-dione
Database identifiers
- CAS
293766-07-1- ChEMBL
CHEMBL1506994
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 685
Physicochemical properties
- Boiling point
- 642.9 · 642.9±65.0 °C(Predicted)
- Density
- 1.394 · 1.394±0.06 g/cm3(Predicted)
- pka
- 3.43 · 3.43±0.70(Predicted)
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Related reactions
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Compound notes
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