1-(Benzenesulfonyl)-5-methoxypyrrolidin-2-one
Basic information
- CAS
111711-82-1- Standard SMILES
COC1CCC(=O)N1S(=O)(=O)c1ccccc1- InChIKey
HASBQZOQAQDOOU-UHFFFAOYSA-N- Molecular formula
- C11H13NO4S
- Average molar mass
- 255.29 g/mol
- Monoisotopic mass
- 255.05652907
Names & identifiers
- Preferred name
- 1-(Benzenesulfonyl)-5-methoxypyrrolidin-2-one
- IUPAC
- 1-(benzenesulfonyl)-5-methoxypyrrolidin-2-one
Names & synonyms
1-(benzenesulfonyl)-5-methoxypyrrolidin-2-one111711-82-1DTXSID30912288RefChem:1054594DTXCID101341311BRN 47526055-Methoxy-1-(phenylsulfonyl)-2-pyrrolidinone2-Pyrrolidinone, 5-methoxy-1-(phenylsulfonyl)-
Database identifiers
- CAS
111711-82-1- PubChem CID
- 3086715
- DTXSID
DTXSID30912288- Nikkaji
- J423.501K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 381
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Compound notes
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