N-(4,6-Dimethyl-2-pyrimidinyl)-4-methylbenzenesulfonamide
Basic information
- CAS
123458-65-1- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1- InChIKey
PJKGKLPRSSNDFO-UHFFFAOYSA-N- Molecular formula
- C13H15N3O2S
- Average molar mass
- 277.34 g/mol
- Monoisotopic mass
- 277.0884979
Names & identifiers
- Preferred name
- N-(4,6-Dimethyl-2-pyrimidinyl)-4-methylbenzenesulfonamide
- IUPAC
- N-(4,6-dimethylpyrimidin-2-yl)-4-methylbenzenesulfonamide
- English name
- N-(4,6-dimethylpyrimidin-2-yl)-4-methylbenzene-1-sulfonamide
- Molecular formula
- C13H15N3O2S
- Molecular weight
- 277.3421
Names & synonyms
123458-65-1N-(4,6-DIMETHYL-2-PYRIMIDINYL)-4-METHYLBENZENESULFONAMIDERefChem:826763669-206-1N-(4,6-dimethylpyrimidin-2-yl)-4-methylbenzenesulfonamideZINC30981(4,6-dimethylpyrimidin-2-yl)[(4-methylphenyl)sulfonyl]amineZINC00030981Oprea1_066255Oprea1_495373SCHEMBL12903578MFCD00436892
Show more names
N-(4,6-dimethylpyrimidin-2-yl)-4-methylbenzene-1-sulfonamide
STK000142AKOS000366074ST044009ZINC000000030981Cc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)CAB00015821-01N(46DIMETHYLPYRIMIDIN2YL)4METHYLBENZENESULFONAMIDECC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C
Database identifiers
- CAS
123458-65-1- PubChem CID
- 670288
- EC Number
- 669-206-1
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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