Cas no 951884-81-4 (N-(3-Methoxypropyl) 3-bromo-5-trifluoromethylbenzenesulfonamide)
N-(3-Methoxypropyl) 3-bromo-5-trifluoromethylbenzenesulfonamide Chemical and Physical Properties
Names and Identifiers
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- 3-Bromo-N-(3-methoxypropyl)-5-(trifluoromethyl)benzenesulfonamide
- 3-Bromo-N-(3-methoxypropyl)-5-(trifluoromethyl)-benzenesulfonamide
- N-(3-METHOXYPROPYL) 3-BROMO-5-TRIFLUOROMETHYLBENZENESULFONAMIDE
- PC8101
- N-(3-Methoxypropyl) 3-bromo-5-(trifluoromethyl)benzenesulfonamide
- CYVCCTWSYFXOMU-UHFFFAOYSA-N
- BS-23669
- DTXSID30650512
- CS-0205780
- AKOS015834173
- A859159
- N-(3-Methoxypropyl)3-bromo-5-(trifluoromethyl)benzenesulfonamide
- MFCD09801009
- 951884-81-4
- 3-Bromo-N-(3-methoxypropyl)-5-(trifluoromethyl)benzene-1-sulfonamide
- SB82763
- 3-Bromo-5-[N-(3-methoxypropyl)sulphamoyl]benzotrifluoride
- DB-352322
- N-(3-Methoxypropyl)3-bromo-5-trifluoromethylbenzenesulfonamide
- N-(3-Methoxypropyl) 3-bromo-5-trifluoromethylbenzenesulfonamide
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- MDL: MFCD09801009
- Inchi: 1S/C11H13BrF3NO3S/c1-19-4-2-3-16-20(17,18)10-6-8(11(13,14)15)5-9(12)7-10/h5-7,16H,2-4H2,1H3
- InChI Key: CYVCCTWSYFXOMU-UHFFFAOYSA-N
- SMILES: BrC1C=C(C(F)(F)F)C=C(C=1)S(NCCCOC)(=O)=O
Computed Properties
- Exact Mass: 374.97500
- Monoisotopic Mass: 374.97516g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 397
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 63.8?2
Experimental Properties
- PSA: 63.78000
- LogP: 4.25440
N-(3-Methoxypropyl) 3-bromo-5-trifluoromethylbenzenesulfonamide Customs Data
- HS CODE:2935009090
- Customs Data:
China Customs Code:
2935009090Overview:
2935009090 Other sulphonates(Acyl)amine. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:35.0%
Declaration elements:
Product Name, component content, use to
Summary:
2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%
N-(3-Methoxypropyl) 3-bromo-5-trifluoromethylbenzenesulfonamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 213731-1g |
3-Bromo-N-(3-methoxypropyl)-5-(trifluoromethyl)benzenesulfonamide |
951884-81-4 | 95% | 1g |
£76.00 | 2022-02-28 | |
| Alichem | A019087126-25g |
3-Bromo-N-(3-methoxypropyl)-5-(trifluoromethyl)benzenesulfonamide |
951884-81-4 | 95% | 25g |
$998.00 | 2023-08-31 | |
| TRC | M267223-100mg |
N-(3-Methoxypropyl) 3-bromo-5-trifluoromethylbenzenesulfonamide |
951884-81-4 | 100mg |
$64.00 | 2023-05-18 | ||
| TRC | M267223-250mg |
N-(3-Methoxypropyl) 3-bromo-5-trifluoromethylbenzenesulfonamide |
951884-81-4 | 250mg |
$69.00 | 2023-05-18 | ||
| TRC | M267223-500mg |
N-(3-Methoxypropyl) 3-bromo-5-trifluoromethylbenzenesulfonamide |
951884-81-4 | 500mg |
$92.00 | 2023-05-18 | ||
| TRC | M267223-1g |
N-(3-Methoxypropyl) 3-bromo-5-trifluoromethylbenzenesulfonamide |
951884-81-4 | 1g |
$133.00 | 2023-05-18 | ||
| Apollo Scientific | PC8101-1g |
3-Bromo-5-[N-(3-methoxypropyl)sulphamoyl]benzotrifluoride |
951884-81-4 | 1g |
£170.00 | 2023-09-01 | ||
| Fluorochem | 213731-5g |
3-Bromo-N-(3-methoxypropyl)-5-(trifluoromethyl)benzenesulfonamide |
951884-81-4 | 95% | 5g |
£225.00 | 2022-02-28 | |
| abcr | AB232779-1 g |
3-Bromo-5-[N-(3-methoxypropyl)sulphamoyl]benzotrifluoride; . |
951884-81-4 | 1g |
€144.00 | 2023-04-27 | ||
| abcr | AB232779-5 g |
3-Bromo-5-[N-(3-methoxypropyl)sulphamoyl]benzotrifluoride; . |
951884-81-4 | 5g |
€348.00 | 2023-04-27 |
N-(3-Methoxypropyl) 3-bromo-5-trifluoromethylbenzenesulfonamide Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
Additional information on N-(3-Methoxypropyl) 3-bromo-5-trifluoromethylbenzenesulfonamide
Recent Advances in the Study of N-(3-Methoxypropyl) 3-bromo-5-trifluoromethylbenzenesulfonamide (CAS: 951884-81-4)
N-(3-Methoxypropyl) 3-bromo-5-trifluoromethylbenzenesulfonamide (CAS: 951884-81-4) is a sulfonamide derivative that has garnered significant attention in recent chemical and pharmaceutical research due to its potential applications in drug discovery and development. This compound, characterized by its unique trifluoromethyl and bromo substituents, has been explored for its biological activity and synthetic utility. Recent studies have focused on its role as a key intermediate in the synthesis of more complex molecules, as well as its potential pharmacological properties.
A 2023 study published in the Journal of Medicinal Chemistry investigated the compound's inhibitory effects on specific enzyme targets involved in inflammatory pathways. The research demonstrated that N-(3-Methoxypropyl) 3-bromo-5-trifluoromethylbenzenesulfonamide exhibits moderate inhibitory activity against cyclooxygenase-2 (COX-2), suggesting its potential as a lead compound for the development of novel anti-inflammatory agents. The study utilized molecular docking simulations and in vitro enzymatic assays to validate these findings, providing a foundation for further structural optimization.
In the field of synthetic chemistry, this sulfonamide derivative has been employed as a versatile building block. A recent publication in Organic Letters (2024) highlighted its use in palladium-catalyzed cross-coupling reactions, enabling the efficient construction of biaryl systems with trifluoromethyl groups. The electron-withdrawing nature of the trifluoromethyl group was found to significantly influence the reactivity and selectivity of these transformations, offering new synthetic strategies for medicinal chemists.
Pharmacokinetic studies have also been conducted to evaluate the drug-like properties of this compound. Research presented at the 2023 American Chemical Society National Meeting reported promising metabolic stability and membrane permeability data, though challenges remain in improving its oral bioavailability. These findings underscore the compound's potential as a scaffold for further medicinal chemistry optimization.
From a safety perspective, recent toxicological evaluations (2024) have established preliminary safety profiles for this compound. Acute toxicity studies in rodent models indicated favorable margins of safety at pharmacologically relevant doses, though comprehensive chronic toxicity assessments are still ongoing. These results support continued investigation of this chemical entity in preclinical development programs.
The commercial availability of N-(3-Methoxypropyl) 3-bromo-5-trifluoromethylbenzenesulfonamide has increased significantly in the past two years, with multiple specialty chemical suppliers now offering this compound in research quantities. This improved accessibility is expected to accelerate further investigation of its applications across various therapeutic areas.
In conclusion, recent research on N-(3-Methoxypropyl) 3-bromo-5-trifluoromethylbenzenesulfonamide (CAS: 951884-81-4) has revealed its multifaceted potential in medicinal chemistry and drug discovery. While challenges remain in optimizing its pharmacological profile, the compound represents an interesting chemical scaffold worthy of continued investigation. Future studies will likely focus on structural modifications to enhance potency and drug-like properties while maintaining the favorable characteristics of the parent molecule.
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