1-(Phenylsulfonyl)-2-pyrrolidinone
Basic information
- CAS
88000-68-4- Standard SMILES
O=C1CCCN1S(=O)(=O)c1ccccc1- InChIKey
HRSUALBDOVEBRR-UHFFFAOYSA-N- Molecular formula
- C10H11NO3S
- Average molar mass
- 225.27 g/mol
- Monoisotopic mass
- 225.04596439
Names & identifiers
- Preferred name
- 1-(Phenylsulfonyl)-2-pyrrolidinone
- IUPAC
- 1-(benzenesulfonyl)pyrrolidin-2-one
Names & synonyms
1-(benzenesulfonyl)pyrrolidin-2-one1-(phenylsulfonyl)-2-pyrrolidinone88000-68-42-Pyrrolidinone, 1-(phenylsulfonyl)-MLS000676356N-benzenesulfonyl-2-pyrrolidoneSCHEMBL6810271SCHEMBL7380549CHEMBL1705692DTXSID90349859HRSUALBDOVEBRR-UHFFFAOYSA-NHMS1602O01
Show more names
1-(phenylsulfonyl)pyrrolidin-2-oneAKOS002315555SMR000301087ST50328949SR-01000299991SR-01000299991-1
Database identifiers
- CAS
88000-68-4- PubChem CID
- 667602
- DTXSID
DTXSID90349859- ChEMBL
CHEMBL1705692- Nikkaji
- J423.499E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 338
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Related reactions
2 records
Compound notes
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