4-hydroxy-N,N-dimethylbenzenesulfonamide
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Basic information
- CAS
15020-57-2- Standard SMILES
CN(C)S(=O)(=O)c1ccc(O)cc1- InChIKey
JYBMFOQKJJJCPY-UHFFFAOYSA-N- Molecular formula
- C8H11NO3S
- Average molar mass
- 201.25 g/mol
- Monoisotopic mass
- 201.04596439
Overview
4-hydroxy-N,N-dimethylbenzenesulfonamide is a sulfonamide. It is functionally related to a 4-hydroxybenzenesulfonic acid.
Names & identifiers
- Preferred name
- 4-hydroxy-N,N-dimethylbenzenesulfonamide
- IUPAC
- 4-hydroxy-N,N-dimethylbenzenesulfonamide
- English name
- P-HYDROXY-N,N-DIMETHYLBENZENE SULFONAMIDE
- Molecular formula
- C8H11NO3S
- Molecular weight
- 201.24
Names & synonyms
4-hydroxy-N,N-dimethylbenzenesulfonamide15020-57-24-Dimethylsulfamoylphenolp-(N,N-Dimethylsulfamoyl)phenolBenzenesulfonamide, 4-hydroxy-N,N-dimethyl-BRN 2103901UNII-5OLO4OTH59Benzenesulfonamide, p-hydroxy-N,N-dimethyl-5OLO4OTH59N,N-dimethyl-4-hydroxybenzenesulfonamide1-Phenol-4-sulfanomide, N,N-dimethyl-Benzenesulfonamide, N,N-dimethyl-p-hydroxy-
Show more names
N,N-dimethyl-4-hydroxybenzenesulphonamideP-HYDROXY-N,N-DIMETHYLBENZENE SULFONAMIDE4-hydroxy-N,N-dimethylbenzene-1-sulfonamide
DTXSID6065844CHEBI:386784-11-00-00586 (Beilstein Handbook Reference)4-(N,N-DIMETHYLAMINOSULFONYL)PHENOL1-PHENOL-4-SULFONAMIDE, N,N-DIMETHYL-N,N-DIMETHYL-P-HYDROXYBENZENESULFONAMIDERefChem:99259DTXCID4034869
Database identifiers
- CAS
15020-57-2- PubChem CID
- 84760
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 95 °C · 95 °C
- Boiling point
- 347.3 · 347.3±44.0 °C(Predicted)
- Density
- 1.3156 · 1.3156 (rough estimate)
- refractive index
- 1.5364 · 1.5364 (estimate)
- pka
- 7.81 · 7.81±0.13(Predicted)
- FDA UNII
- 5 OLO4OTH59 · 5OLO4OTH59
- EPA Substance Registry System
- 4 · Benzenesulfonamide, 4-hydroxy-N,N-dimethyl- (15020-57-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H302-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonamide, 4-hydroxy-N,N-dimethyl-: INACTIVE
Applications
Uses4-Dimethylsulfamoylphenol is a useful synthetic intermediate. 4-Dimethylsulfamoylphenol can be used as a reagent to synthesize N-(4-ethoxyphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide derivs. as neuropeptide Y Y2 receptor antagonists.
Additional notes
DefinitionChEBI: 4-hydroxy-N,N-dimethylbenzenesulfonamide is a sulfonamide. It is functionally related to a 4-hydroxybenzenesulfonic acid.
Related reactions
10 records
Compound notes
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