1-(Benzenesulfonyl)-5-oxopyrrolidin-2-yl acetate
Basic information
- CAS
111711-98-9- Standard SMILES
CC(=O)OC1CCC(=O)N1S(=O)(=O)c1ccccc1- InChIKey
WAGXHCZUAWDIGP-UHFFFAOYSA-N- Molecular formula
- C12H13NO5S
- Average molar mass
- 283.3 g/mol
- Monoisotopic mass
- 283.05144369
Names & identifiers
- Preferred name
- 1-(Benzenesulfonyl)-5-oxopyrrolidin-2-yl acetate
- IUPAC
- [1-(benzenesulfonyl)-5-oxopyrrolidin-2-yl] acetate
Names & synonyms
111711-98-9DTXSID809205501-(BENZENESULFONYL)-5-OXOPYRROLIDIN-2-YL ACETATERefChem:1054595DTXCID4013494575-Acetoxy-1-phenylsulfonyl-2-pyrrolidinoneBRN 47557692-Pyrrolidinone, 5-(acetyloxy)-1-(phenylsulfonyl)-SCHEMBL9671729
Database identifiers
- CAS
111711-98-9- PubChem CID
- 3086730
- DTXSID
DTXSID80920550- Nikkaji
- J423.500B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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