N-((5-(N-(3-Chlorophenyl)sulfamoyl)-2-methylphenyl)carbamothioyl)-4-fluorobenzamide CAS 379696-86-3
| CAS No. | 379696-86-3 |
| Molecular Formula | C21H17ClFN3O3S2 |
| Molecular Weight | 477.96 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 477.96 g/mol gives N-((5-(N-(3-Chlorophenyl)sulfamoyl)-2-methylphenyl)carbamothioyl)-4-fluorobenzamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies N-((5-(N-(3-Chlorophenyl)sulfamoyl)-2-methylphenyl)carbamothioyl)-4-fluorobenzamide (CAS 379696-86-3), a certified reference material (molecular formula C21H17ClFN3O3S2, MW 477.96 g/mol) for analytical method development and quality control.
Structurally, N-((5-(N-(3-Chlorophenyl)sulfamoyl)-2-methylphenyl)carbamothioyl)-4-fluorobenzamide (C21H17ClFN3O3S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 477.96 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
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 | C21H17ClFN3O3S2 |
| Molecular Weight | 477.96 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Recommended Standards
- N-((3-(N-(3-Chlorophenyl)sulfamoyl)-4-methylphenyl)carbamothioyl)-4-fluorobenzamide (CAS 379723-99-6)
- Mosapride Impurity 61 (CAS CATO-C4X-104461)
- N-((3-(N-(2-Chlorophenyl)sulfamoyl)-4-methylphenyl)carbamothioyl)-4-fluorobenzamide (CAS 379713-58-3)
- Trelagliptin Impurity 49 (CAS CATO-C4X-104649)
- N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide hydrochloride (CAS 1803588-00-2)
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- N-((2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(pentyloxy)tetrahydro-2H-pyran-3-yl)acetamide (CAS 94483-64-4)
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- Tirzepatide(sodium salt) (CAS 2023788-19-2(free base))
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