Basic information
- CAS
400086-36-4- Standard SMILES
O=C1CCCN1CC(O)CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1- InChIKey
KXFKDJFOHDUNAM-UHFFFAOYSA-N- Molecular formula
- C14H17Cl2NO4S
- Average molar mass
- 366.3 g/mol
- Monoisotopic mass
- 365.0255346
Names & identifiers
- Preferred name
- 1-{3-[(3,4-Dichlorobenzyl)sulfonyl]-2-hydroxypropyl}-2-pyrrolidinone
- IUPAC
- 1-[3-[(3,4-dichlorophenyl)methylsulfonyl]-2-hydroxypropyl]pyrrolidin-2-one
- English name
- 1-{3-[(3,4-dichlorobenzyl)sulfonyl]-2-hydroxypropyl}-2-pyrrolidinone
- Molecular formula
- C14H17Cl2NO4S
- Molecular weight
- 366.26
Names & synonyms
400086-36-41-{3-[(3,4-dichlorobenzyl)sulfonyl]-2-hydroxypropyl}-2-pyrrolidinone1-{3-[(3,4-dichlorophenyl)methanesulfonyl]-2-hydroxypropyl}pyrrolidin-2-oneMFCD019364261-[3-[(3,4-dichlorophenyl)methylsulfonyl]-2-hydroxypropyl]pyrrolidin-2-oneC14H17Cl2NO4SOprea1_225910MLS001165772CHEMBL1503642HMS2879G10AKOS0050993577F-304S
Show more names
2-Pyrrolidinone, 1-[3-[[(3,4-dichlorophenyl)methyl]sulfonyl]-2-hydroxypropyl]-
SMR0005505111-[3-[(3,4-dichlorophenyl)methylsulfonyl]-2-hydroxy-propyl]pyrrolidin-2-one
Database identifiers
- CAS
400086-36-4- PubChem CID
- 3758617
- ChEMBL
CHEMBL1503642
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 494
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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