Basic information
- CAS
7130-25-8- Standard SMILES
Nc1cc(C(F)(F)F)ccc1S(=O)(=O)c1ccccc1- InChIKey
KREILFDAFYILFY-UHFFFAOYSA-N- Molecular formula
- C13H10F3NO2S
- Average molar mass
- 301.29 g/mol
- Monoisotopic mass
- 301.03843422
Names & identifiers
- Preferred name
- 2-(Phenylsulfonyl)-5-(trifluoromethyl)aniline
- IUPAC
- 2-(benzenesulfonyl)-5-(trifluoromethyl)aniline
Names & synonyms
2-(phenylsulfonyl)-5-(trifluoromethyl)aniline7130-25-82-(benzenesulfonyl)-5-(trifluoromethyl)anilineNSC39133SCHEMBL4616939DTXSID50284813NSC-391332-benzenesulfonyl-5-trifluoromethyl-phenylamine
Database identifiers
- CAS
7130-25-8- PubChem CID
- 236552
- DTXSID
DTXSID50284813
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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