N-benzyl-4-fluorobenzenesulfonamide
Basic information
- CAS
727-36-6- Standard SMILES
O=S(=O)(NCc1ccccc1)c1ccc(F)cc1- InChIKey
YKJHIJIVPYDTOH-UHFFFAOYSA-N- Molecular formula
- C13H12FNO2S
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.05727796
Names & identifiers
- Preferred name
- N-benzyl-4-fluorobenzenesulfonamide
- IUPAC
- N-benzyl-4-fluorobenzenesulfonamide
- English name
- N-Benzyl-4-fluorobenzenesulfonamide
- Molecular formula
- C13H12FNO2S
- Molecular weight
- 265.3
Names & synonyms
N-benzyl-4-fluorobenzenesulfonamide727-36-6DTXSID20356854RefChem:363330DTXCID30307913MFCD01213083N-benzyl-4-fluorobenzene-1-sulfonamideOprea1_069840Oprea1_157563SCHEMBL6289448HMS1766E17n-benzyl-4-fluoro-benzenesulfonamide
Show more names
4-Fluoro-N-(phenylmethyl)benzenesulfonamideBenzenesulfonamide, 4-fluoro-N-(phenylmethyl)-
STK086580[(4-fluorophenyl)sulfonyl]benzylamineAKOS001058172BS-23714DB-371380CS-0213191ST50486214G74641
Database identifiers
- CAS
727-36-6- PubChem CID
- 835474
- DTXSID
DTXSID20356854- Nikkaji
- J2.684.325A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Melting point
- 99 °C · 99 °C
- Boiling point
- 405 · 405.0±55.0 °C(Predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 11.09 · 11.09±0.30(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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