n-(4-Cyanophenyl)-4-methylbenzenesulfonamide
Basic information
- CAS
56768-53-7- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1- InChIKey
HQQVYEMQVKDXJX-UHFFFAOYSA-N- Molecular formula
- C14H12N2O2S
- Average molar mass
- 272.32 g/mol
- Monoisotopic mass
- 272.0619488
Names & identifiers
- Preferred name
- n-(4-Cyanophenyl)-4-methylbenzenesulfonamide
- IUPAC
- N-(4-cyanophenyl)-4-methylbenzenesulfonamide
- English name
- N-(4-cyanophenyl)-4-methylbenzenesulfonamide
- Molecular formula
- C14H12N2O2S
- Molecular weight
- 272.32
Names & synonyms
56768-53-7n-(4-cyanophenyl)-4-methylbenzenesulfonamideN-(4-cyanophenyl)-4-methyl-benzenesulfonamideN-(4-cyanophenyl)-4-methylbenzene-1-sulfonamideMFCD01006537NSC86607N-(4-Cyanophenyl)-p-toluenesulfonamideNCIOpen2_004878SCHEMBL65554494'-cyano-p-toluenesulfonanilideDTXSID50292973HQQVYEMQVKDXJX-UHFFFAOYSA-N
Show more names
4-Cyanophenyl toluenesulfonamideBenzenesulfonamide, N-(4-cyanophenyl)-4-methyl-
BDBM237304NSC-86607AKOS000175101EBC-61223811F-448SCS-0350857A12650F744582
Database identifiers
- CAS
56768-53-7- PubChem CID
- 257975
- DTXSID
DTXSID50292973- Nikkaji
- J2.692.160K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 430
Physicochemical properties
- Melting point
- 183.2 · 183.2-184.4 °C
- Boiling point
- 457.2 · 457.2±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 6.92 · 6.92±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
6 records
Compound notes
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