Benzenesulfonamide, 4-methyl-N-(phenylsulfonyl)-
Basic information
- CAS
14706-41-3- Standard SMILES
Cc1ccc(S(=O)(=O)NS(=O)(=O)c2ccccc2)cc1- InChIKey
MBPSWVGSUGQOSI-UHFFFAOYSA-N- Molecular formula
- C13H13NO4S2
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.02860024
Names & identifiers
- Preferred name
- Benzenesulfonamide, 4-methyl-N-(phenylsulfonyl)-
- IUPAC
- N-(benzenesulfonyl)-4-methylbenzenesulfonamide
- English name
- N-(phenylsulphonyl)-p-toluenesulphonamide
- Molecular formula
- C13H13NO4S2
- Molecular weight
- 311.37662
Names & synonyms
14706-41-3Benzenesulfonamide, 4-methyl-N-(phenylsulfonyl)-p-Toluenesulfonamide, N-(phenylsulfonyl)-EINECS 238-751-3DTXSID4065810RefChem:563786DTXCID9034785N-(benzenesulfonyl)-4-methylbenzenesulfonamideN-(Phenylsulphonyl)-p-toluenesulphonamideSCHEMBL10766706SCHEMBL10882944MBPSWVGSUGQOSI-UHFFFAOYSA-N
Show more names
4-Methyl-N-(phenylsulfonyl)benzenesulfonamide
AKOS002526341DB-285505NS00024817N-(Benzenesulfonyl)-4-methylbenzene-1-sulfonamideSR-01000025142SR-01000025142-1Z56175673
Database identifiers
- CAS
14706-41-3- PubChem CID
- 84601
- DTXSID
DTXSID4065810- EC Number
- 238-751-3
- Nikkaji
- J227.152D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 502
Physicochemical properties
- Melting point
- 169 · 169-171 °C
- Boiling point
- 487 · 487.0±38.0 °C(Predicted)
- Density
- 1.378 · 1.378±0.06 g/cm3(Predicted)
- pka
- -0.74 · -0.74±0.40(Predicted)
- EPA Substance Registry System
- 4 · Benzenesulfonamide, 4-methyl-N-(phenylsulfonyl)- (14706-41-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzenesulfonamide, 4-methyl-N-(phenylsulfonyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonamide, 4-methyl-N-(phenylsulfonyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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