Ethyl 2-{1-[(2,4-dichlorophenyl)sulfonyl]-3-oxo-2-piperazinyl}acetate
Completing data — refresh the page later to see the latest
Basic information
- CAS
318469-54-4- Standard SMILES
CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1Cl- InChIKey
XNZLSQSAAQKKDU-UHFFFAOYSA-N- Molecular formula
- C14H16Cl2N2O5S
- Average molar mass
- 395.3 g/mol
- Monoisotopic mass
- 394.0156982
Names & identifiers
- Preferred name
- Ethyl 2-{1-[(2,4-dichlorophenyl)sulfonyl]-3-oxo-2-piperazinyl}acetate
- IUPAC
- ethyl 2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
- English name
- ETHYL 2-(1-[(2,4-DICHLOROPHENYL)SULFONYL]-3-OXO-2-PIPERAZINYL)ACETATE
- Molecular formula
- C14H16Cl2N2O5S
- Molecular weight
- 395.26
Names & synonyms
318469-54-4ethyl 2-{1-[(2,4-dichlorophenyl)sulfonyl]-3-oxo-2-piperazinyl}acetateethyl 2-[1-(2,4-dichlorobenzenesulfonyl)-3-oxopiperazin-2-yl]acetateethyl 2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetateSMR000168498Bionet1_001319Oprea1_424310MLS000327885SCHEMBL643338CHEMBL1362611HMS571N21XNZLSQSAAQKKDU-UHFFFAOYSA-N
Show more names
ETHYL 2-(1-[(2,4-DICHLOROPHENYL)SULFONYL]-3-OXO-2-PIPERAZINYL)ACETATE2-Piperazineacetic acid, 1-[(2,4-dichlorophenyl)sulfonyl]-3-oxo-, ethyl ester
HMS2352K09AKOS0050951185H-364Sethyl 2-(1-(2,4-dichlorophenylsulfonyl)-3-oxopiperazin-2-yl)acetateethyl2-[1-(2,4-dichlorobenzenesulfonyl)-3-oxopiperazin-2-yl]acetate
Database identifiers
- CAS
318469-54-4- PubChem CID
- 3767271
- ChEMBL
CHEMBL1362611
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 580
Physicochemical properties
- Density
- 1.435 · 1.435±0.06 g/cm3(Predicted)
- pka
- 13.3 · 13.30±0.40(Predicted)
Related reactions
1 records
Compound notes
Loading…