1-(2-Chlorobenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one
Basic information
- CAS
111711-69-4- Standard SMILES
CCOC1CCC(=O)N1S(=O)(=O)c1ccccc1Cl- InChIKey
SOAFCTVEWMJHAT-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO4S
- Average molar mass
- 303.76 g/mol
- Monoisotopic mass
- 303.0332068
Names & identifiers
- Preferred name
- 1-(2-Chlorobenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one
- IUPAC
- 1-(2-chlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one
Names & synonyms
111711-69-4DTXSID009122751-(2-Chlorobenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-oneRefChem:1053933DTXCID301341298BRN 47584121-((2-Chlorophenyl)sulfonyl)-5-ethoxy-2-pyrrolidinone2-Pyrrolidinone, 1-((2-chlorophenyl)sulfonyl)-5-ethoxy-
Database identifiers
- CAS
111711-69-4- PubChem CID
- 3086702
- DTXSID
DTXSID00912275- Nikkaji
- J423.465K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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