1-(3-(((2-Chlorophenyl)methyl)sulfonyl)-2-hydroxypropyl)-2-pyrrolidinone
Basic information
- CAS
400083-33-2- Standard SMILES
O=C1CCCN1CC(O)CS(=O)(=O)Cc1ccccc1Cl- InChIKey
VTJPGRZUSTVQHY-UHFFFAOYSA-N- Molecular formula
- C14H18ClNO4S
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.0645069
Names & identifiers
- Preferred name
- 1-(3-(((2-Chlorophenyl)methyl)sulfonyl)-2-hydroxypropyl)-2-pyrrolidinone
- IUPAC
- 1-[3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxypropyl]pyrrolidin-2-one
Names & synonyms
400083-33-21-[3-[[(2-Chlorophenyl)methyl]sulfonyl]-2-hydroxypropyl]-2-pyrrolidinone1-(3-(((2-Chlorophenyl)methyl)sulfonyl)-2-hydroxypropyl)-2-pyrrolidinoneRefChem:2241221-{3-[(2-chlorobenzyl)sulfonyl]-2-hydroxypropyl}-2-pyrrolidinone1-{3-[(2-chlorophenyl)methanesulfonyl]-2-hydroxypropyl}pyrrolidin-2-oneMFCD019363041-[3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxypropyl]pyrrolidin-2-oneOprea1_859195MLS001165712CHEMBL1702928DTXSID901150310
Show more names
HMS2856D07AKOS0050922495F-387SSMR0005505061-(3-((2-Chlorobenzyl)sulfonyl)-2-hydroxypropyl)pyrrolidin-2-one1-[3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-propyl]pyrrolidin-2-one
Database identifiers
- CAS
400083-33-2- PubChem CID
- 3322673
- DTXSID
DTXSID901150310- ChEMBL
CHEMBL1702928
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 462
Experimental & physicochemical properties
Solubility>49.8 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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