Basic information
- CAS
749219-30-5- Standard SMILES
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)ccc1Cl- InChIKey
JHMHFLVLCBYZLM-UHFFFAOYSA-N- Molecular formula
- C13H9ClF2N2O4S2
- Average molar mass
- 394.8 g/mol
- Monoisotopic mass
- 393.9660331
Names & identifiers
- Preferred name
- 4-chloro-N-{4-[(difluoromethyl)sulfanyl]phenyl}-3-nitrobenzene-1-sulfonamide
- IUPAC
- 4-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-nitrobenzenesulfonamide
Names & synonyms
749219-30-54-chloro-N-{4-[(difluoromethyl)sulfanyl]phenyl}-3-nitrobenzene-1-sulfonamide4-Chloro-N-(4-((difluoromethyl)thio)phenyl)-3-nitrobenzenesulfonamide4-Chloro-N-(4-difluoromethylsulfanyl-phenyl)-3-nitro-benzenesulfonamide4-Chloro-N-[4-[(difluoromethyl)thio]phenyl]-3-nitrobenzenesulfonamideDTXSID701156374AKOS000116685EN300-04081G36165Z45611779
Database identifiers
- CAS
749219-30-5- PubChem CID
- 3732004
- DTXSID
DTXSID701156374
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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