Basic information
- CAS
82608-06-8- Standard SMILES
COc1ccc(S(C)(=O)=O)cc1C(=O)NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1- InChIKey
HAJTXSJCRLTGNH-UHFFFAOYSA-N- Molecular formula
- C22H26F3N3O4S
- Average molar mass
- 485.5 g/mol
- Monoisotopic mass
- 485.15961198
Names & identifiers
- Preferred name
- Benzamide, 2-methoxy-5-(methylsulfonyl)-N-(2-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)-1-piperazinyl)ethyl)-
- IUPAC
- 2-methoxy-5-methylsulfonyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzamide
- English name
- BENZAMIDE, 2-METHOXY-5-(METHYLSULFONYL)-N-(2-(4-(alpha,alpha,alpha-TRI FLUORO-m-T
- Molecular formula
- C22H26F3N3O4S
- Molecular weight
- 485.52
Names & synonyms
82608-06-8Benzamide, 2-methoxy-5-(methylsulfonyl)-N-(2-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)-1-piperazinyl)ethyl)-DTXSID00231913N-(2-(4-(3-Trifluoromethylphenyl)-1-piperazinyl)ethyl)-2-methoxy-5-methylsulfonylbenzamideRefChem:321451DTXCID301544045-(Methanesulfonyl)-2-methoxy-N-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)benzamideBENZAMIDE, 2-METHOXY-5-(METHYLSULFONYL)-N-(2-(4-(alpha,alpha,alpha-TRI FLUORO-m-T2-Methoxy-5-(methylsulfonyl)-N-[2-[4-(3-trifluoromethylphenyl)-1-piperazinyl]ethyl]benzamideBenzamide, 2-methoxy-5-(methylsulfonyl)-N-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]-
Database identifiers
- CAS
82608-06-8- PubChem CID
- 54894
- DTXSID
DTXSID00231913- Nikkaji
- J149.152K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 751
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…