Basic information
- CAS
82608-07-9- Standard SMILES
COc1ccc(S(N)(=O)=O)cc1C(=O)NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1- InChIKey
FESZBMLFBJDIDC-UHFFFAOYSA-N- Molecular formula
- C21H25F3N4O4S
- Average molar mass
- 486.5 g/mol
- Monoisotopic mass
- 486.15486095
Names & identifiers
- Preferred name
- Benzamide, 2-methoxy-5-sulfamoyl-N-(2-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)-1-piperazinyl)ethyl)-
- IUPAC
- 2-methoxy-5-sulfamoyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzamide
- English name
- 2-Methoxy-5-sulfamoyl-N-[2-[4-(3-trifluoromethylphenyl)-1-piperazinyl]ethyl]benzamide
- Molecular formula
- C21H25F3N4O4S
- Molecular weight
- 486.51
Names & synonyms
82608-07-9Benzamide, 2-methoxy-5-sulfamoyl-N-(2-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)-1-piperazinyl)ethyl)-NSC 367964N-(2-(4-(3-Trifluoromethylphenyl)-1-piperazinyl)ethyl)-2-methoxy-5-sulfamoylbenzamideDTXSID60231914RefChem:321453DTXCID901544052-methoxy-5-sulfamoyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzamideNSC-3679642-methoxy-5-sulfamoyl-N-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)benzamideNSC367964YM6HM23M2M
Show more names
2-Methoxy-5-sulfamoyl-N-[2-[4-(3-trifluoromethylphenyl)-1-piperazinyl]ethyl]benzamideDS-0017715-(Aminosulfonyl)-2-methoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]benzamideBenzamide, 5-(aminosulfonyl)-2-methoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]-
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 754
Physicochemical properties
- Density
- 1.345 · 1.345±0.06 g/cm3(Predicted)
- pka
- 9.99 · 9.99±0.60(Predicted)
- FDA UNII
- 6 HM23M2M · YM6HM23M2M
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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