1-(Benzenesulfonyl)-5-(hexyloxy)pyrrolidin-2-one
Basic information
- CAS
111711-89-8- Standard SMILES
CCCCCCOC1CCC(=O)N1S(=O)(=O)c1ccccc1- InChIKey
GYYBSXFRNPEHGE-UHFFFAOYSA-N- Molecular formula
- C16H23NO4S
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.13477939
Names & identifiers
- Preferred name
- 1-(Benzenesulfonyl)-5-(hexyloxy)pyrrolidin-2-one
- IUPAC
- 1-(benzenesulfonyl)-5-hexoxypyrrolidin-2-one
Names & synonyms
111711-89-8DTXSID009122951-(BENZENESULFONYL)-5-(HEXYLOXY)PYRROLIDIN-2-ONERefChem:1054589DTXCID001341318BRN 47584055-(Hexyloxy)-1-(phenylsulfonyl)-2-pyrrolidinone2-Pyrrolidinone, 5-(hexyloxy)-1-(phenylsulfonyl)-5-(HEXYLOXY)-1-(PHENYLSULFONYL)PYRROLIDIN-2-ONE
Database identifiers
- CAS
111711-89-8- PubChem CID
- 3086722
- DTXSID
DTXSID00912295- Nikkaji
- J423.512F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 451
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…