N,N-Dimethylbenzenesulfonamide
Basic information
- CAS
14417-01-7- Standard SMILES
CN(C)S(=O)(=O)c1ccccc1- InChIKey
BVSPJPNNLDIUFE-UHFFFAOYSA-N- Molecular formula
- C8H11NO2S
- Average molar mass
- 185.25 g/mol
- Monoisotopic mass
- 185.05104977
Names & identifiers
- Preferred name
- N,N-Dimethylbenzenesulfonamide
- IUPAC
- N,N-dimethylbenzenesulfonamide
- English name
- N,N-Dimethylbenzenesulphonamide
- Molecular formula
- C8H11NO2S
- Molecular weight
- 185.24
Names & synonyms
N,N-DimethylbenzenesulfonamideBenzenesulfonamide, N,N-dimethyl-Benzenesulfonic dimethylamideDTXSID40162631NSC 86567RefChem:161283DTXCID9085122BVSPJPNNLDIUFE-UHFFFAOYSA-N14417-01-7MFCD00514037N,N-Dimethyl-benzenesulfonamideN,N-DIMETHYLBENZENESULPHONAMIDE
Show more names
2K6Y6KZ4UDNSC-86567Benzenesulfonamide,N,N-dimethyl-NSC86567UNII-2K6Y6KZ4UDCambridge id 5110918NCIOpen2_001103SCHEMBL162419
Database identifiers
- CAS
14417-01-7- PubChem CID
- 84423
- DTXSID
DTXSID40162631- ChEMBL
CHEMBL3923165- UNII
- 2K6Y6KZ4UD
- Nikkaji
- J104.410I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP1.35
Physicochemical properties
- Melting point
- 45.5 · 45.5-46.5 °C
- Boiling point
- 283.9 · 283.9±23.0 °C(Predicted)
- Density
- 1.195 · 1.195±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- -4.73 · -4.73±0.70(Predicted)
- Appearance
- White to off-white Solid
- FDA UNII
- 2 K6Y6KZ4UD · 2K6Y6KZ4UD
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- 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
- hs_code
- 2935909099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesN,N-Dimethylbenzenesulfonamide is an intermediate used in the preparation of phenylsulfonamides with anticonvulsant properties for epilepsy treatment.
Related reactions
7 records
Compound notes
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