Benzenesulfonamide, 4-methyl-N-((4-methylphenyl)sulfonyl)-
Basic information
- CAS
3695-00-9- Standard SMILES
Cc1ccc(S(=O)(=O)NS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
LHWZLUXODWUHLZ-UHFFFAOYSA-N- Molecular formula
- C14H15NO4S2
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.04425031
Names & identifiers
- Preferred name
- Benzenesulfonamide, 4-methyl-N-((4-methylphenyl)sulfonyl)-
- IUPAC
- 4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
- English name
- Di-p-toluenesulfonamide
- Molecular formula
- C14H15NO4S2
- Molecular weight
- 325.4
Names & synonyms
3695-00-9Benzenesulfonamide, 4-methyl-N-[(4-methylphenyl)sulfonyl]-Bis(p-tolylsulfonyl)amineBis(4-methylbenzenesulfon)amineDi-p-ToluenesulfonimideDTXSID6063141N-(p-Tolylsulphonyl)-p-toluenesulphonamideNSC 1150Benzenesulfonamide, 4-methyl-N-((4-methylphenyl)sulfonyl)-EINECS 223-016-14-Methyl-N-((4-methylphenyl)sulfonyl)benzenesulfonamideN-[(p-tolylsulphonyl]-p-toluenesulphonamide
Show more names
Ditosylamine4-ToluenesulfimideDi-(4-tolyl)-sulfimideDI-TOLUENE-4-SULFONAMIDEBis(p-toluenesulfonyl)amineDi-p-toluenesulfonamide,95%Di-p-toluenesulfonamide, 98%
4-methyl-N-[(4-methylphenyl)sulfonyl]benzenesulfonamideN-((p-tolylsulphonyl)-p-toluenesulphonamideRefChem:563780DTXCID5039270223-016-14-Methyl-N-tosylbenzenesulfonamideDi-p-toluenesulfonamide4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
Database identifiers
- CAS
3695-00-9- PubChem CID
- 77279
- DTXSID
DTXSID6063141- UNII
- NXN5K2L75V
- EC Number
- 223-016-1
- Nikkaji
- J30.829C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 479
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 170 · 170-172℃
- Boiling point
- 265 °C · 265 °C (20 mmHg)
- Density
- 1.343 · 1.343
- refractive index
- 1.75 · 1.7500 (estimate)
- storage temp.
- Store at room temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- -0.5 · -0.50±0.40(Predicted)
- color
- White to Almost white
- CAS DataBase Reference
- 3695 · 3695-00-9
- FDA UNII
- 5 K2L75V · NXN5K2L75V
- EPA Substance Registry System
- 4 · Benzenesulfonamide, 4-methyl-N-[(4-methylphenyl)sulfonyl]- (3695-00-9)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Benzenesulfonamide, 4-methyl-N-[(4-methylphenyl)sulfonyl]-
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2935.90.9500
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonamide, 4-methyl-N-[(4-methylphenyl)sulfonyl]-: ACTIVE
Applications
Uses4-Methyl-N-[(4-methylphenyl)sulfonyl]benzenesulfonamide is a reagent used in the preparation of carbonic anhydrase inhibitors with modified sulfonamido groups.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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