2-(Benzylamino)-5-(trifluoromethyl)benzenesulfonamide
Basic information
- CAS
1698-38-0- Standard SMILES
NS(=O)(=O)c1cc(C(F)(F)F)ccc1NCc1ccccc1- InChIKey
FEJCSYUIRWSKNZ-UHFFFAOYSA-N- Molecular formula
- C14H13F3N2O2S
- Average molar mass
- 330.33 g/mol
- Monoisotopic mass
- 330.06498332
Names & identifiers
- Preferred name
- 2-(Benzylamino)-5-(trifluoromethyl)benzenesulfonamide
- IUPAC
- 2-(benzylamino)-5-(trifluoromethyl)benzenesulfonamide
- English name
- 2-Benzylamino-5-trifluoromethyl-benzenesulfonamide
- Molecular formula
- C14H13F3N2O2S
- Molecular weight
- 330.33
Names & synonyms
1698-38-02-(benzylamino)-5-(trifluoromethyl)benzenesulfonamideSCHEMBL6553455DTXSID00459973AKOS015964046SB83539AC-186282-benzylamino-5-trifluoromethylbenzenesulfonamide2-(Benzylamino)-5-(trifluoromethyl)benzene-1-sulfonamide2-Benzylamino-5-trifluoromethyl-benzenesulfonamideBenzenesulfonamide, 2-[(phenylmethyl)amino]-5-(trifluoromethyl)-
Database identifiers
- CAS
1698-38-0- PubChem CID
- 11244397
- DTXSID
DTXSID00459973
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 456
Physicochemical properties
- Melting point
- 130 °C · 130 °C
- Boiling point
- 467 · 467.0±55.0 °C(Predicted)
- Density
- 1.423 · 1.423±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.38 · 9.38±0.60(Predicted)
Related reactions
1 records
Compound notes
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