Basic information
- CAS
593257-42-2- Standard SMILES
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)Cc2cccc(Cl)c2)cc1- InChIKey
LLBPAAZNLVTWJI-UHFFFAOYSA-N- Molecular formula
- C23H20ClF3N2O3S
- Average molar mass
- 496.9 g/mol
- Monoisotopic mass
- 496.0835259
Names & identifiers
- Preferred name
- 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
- IUPAC
- 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
- English name
- 2-{(3-chlorobenzyl)[(4-methylphenyl)sulfonyl]amino}-N-[2-(trifluoromethyl)phenyl]acetamide
- Molecular formula
- C23H20ClF3N2O3S
- Molecular weight
- 496.93
Names & synonyms
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide2-{(3-chlorobenzyl)[(4-methylphenyl)sulfonyl]amino}-N-[2-(trifluoromethyl)phenyl]acetamideAKOS000454421AO-081/41197713593257-42-2Acetamide, 2-[[(3-chlorophenyl)methyl][(4-methylphenyl)sulfonyl]amino]-N-[2-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
593257-42-2- PubChem CID
- 1815103
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 751
Physicochemical properties
- Density
- 1.4 · 1.400±0.06 g/cm3(Predicted)
- pka
- 12.51 · 12.51±0.70(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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