Basic information
- CAS
349623-66-1- Standard SMILES
Cc1cc(C)c(S(=O)(=O)Nc2cc(C)on2)c(C)c1- InChIKey
CEWJFUKOFXOALB-UHFFFAOYSA-N- Molecular formula
- C13H16N2O3S
- Average molar mass
- 280.34 g/mol
- Monoisotopic mass
- 280.08816355
Names & identifiers
- Preferred name
- (5-Methylisoxazol-3-YL)((2,4,6-trimethylphenyl)sulfonyl)amine
- IUPAC
- 2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
- English name
- (5-Methylisoxazol-3-yl)((2,4,6-trimethylphenyl)sulfonyl)amine
- Molecular formula
- C13H16N2O3S
- Molecular weight
- 280.34
Names & synonyms
349623-66-12,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzene-1-sulfonamide2,4,6-Trimethyl-N-(5-methylisoxazol-3-yl)benzenesulfonamide2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide(5-METHYLISOXAZOL-3-YL)((2,4,6-TRIMETHYLPHENYL)SULFONYL)AMINEMFCD01567718Cambridge id 6587673Oprea1_052864Oprea1_377918MLS001034531CHEMBL1481994CEWJFUKOFXOALB-UHFFFAOYSA-N
Show more names
Benzenesulfonamide, 2,4,6-trimethyl-N-(5-methyl-3-isoxazolyl)-
DTXSID901322030HMS2963C18ZNA62366STK042369AKOS003282971MS-10436SMR000664660CS-0323418
Database identifiers
- CAS
349623-66-1- PubChem CID
- 577223
- DTXSID
DTXSID901322030- ChEMBL
CHEMBL1481994
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 395
Experimental & physicochemical properties
Solubility37.2 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers5 total
Key Organics Ltd.[email protected]
MENAI[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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