3-[4-(4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide CAS 519152-65-9
| CAS No. | 519152-65-9 |
| Molecular Formula | C16H15FN4O2S2 |
| Molecular Weight | 378.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-[4-(4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide (CAS 519152-65-9), molecular formula C16H15FN4O2S2 and molecular weight 378.44 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, 3-[4-(4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 378.44 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C16H15FN4O2S2 |
| Molecular Weight | 378.44 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
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Recommended Standards
- 3-((2-Hydroxybenzyl)(p-tolyl)amino)benzo[d]isothiazole 1,1-dioxide (CAS 433315-00-5)
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- 2-(4-Ethoxyphenoxy)-5-(morpholine-4-sulfonyl)aniline (CAS 735322-12-0)
- 2-(4-(Acridin-9-ylamino)phenyl)ethanesulfonic acid (CAS 64895-25-6)
- (2S,4S)-1-(tert-butoxycarbonyl)-4-(3,4-difluorophenoxy)pyrrolidine-2-carboxylic acid (CAS 1354486-27-3)
- (2-Aminophenyl)(morpholino)methanone hydrochloride (CAS 1048648-81-2)
- 4-Methyl-N-(4-methylbenzyl)thiazol-2-amine (CAS 233661-71-7)
- 2-(1-(Tert-butoxymethyl)cyclopropyl)acetic acid (CAS 1493720-88-9)
- 3-Chloro-4-(hydroxymethyl)phenylboronic Acid (CAS 1190875-60-5)
- 2-Methyl-4,5-dihydrooxazole-4-carboxylic acid (CAS 114482-46-1)
- Etoricoxib Impurity 12 (CAS CATO-C4X-108012)
- Miglitol Impurity 15 (CAS CATO-C4X-169715)
- Formaldehyde, polymer with 1,1'-methylenebis[4-isocyanatobenzene] and phenol, 6-diazo-5,6-dihydro-5-oxo-1-naphthalenesulfonate (ester) (CAS 73018-35-6)
- Influenza PR8 Hemagglutinin Peptide (110-119) (H-6312.0005) (CAS 132031-50-6)
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