Cas no 1152501-08-0 (3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide)
3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide Chemical and Physical Properties
Names and Identifiers
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- 3-fluoro-4-methanesulfonamidobenzene-1-sulfonamide
- NE37052
- 3-fluoro-4-(methanesulfonamido)benzenesulfonamide
- 3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide
-
- Inchi: 1S/C7H9FN2O4S2/c1-15(11,12)10-7-3-2-5(4-6(7)8)16(9,13)14/h2-4,10H,1H3,(H2,9,13,14)
- InChI Key: HTSVNLSQAYWGMV-UHFFFAOYSA-N
- SMILES: S(C)(NC1C=CC(=CC=1F)S(N)(=O)=O)(=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 436
- XLogP3: 0.3
- Topological Polar Surface Area: 123
3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B436498-10mg |
3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide |
1152501-08-0 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B436498-50mg |
3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide |
1152501-08-0 | 50mg |
$ 185.00 | 2022-06-07 | ||
| TRC | B436498-100mg |
3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide |
1152501-08-0 | 100mg |
$ 275.00 | 2022-06-07 | ||
| Enamine | EN300-113582-0.05g |
3-fluoro-4-methanesulfonamidobenzene-1-sulfonamide |
1152501-08-0 | 95% | 0.05g |
$162.0 | 2023-10-26 | |
| Enamine | EN300-113582-0.1g |
3-fluoro-4-methanesulfonamidobenzene-1-sulfonamide |
1152501-08-0 | 95% | 0.1g |
$241.0 | 2023-10-26 | |
| Enamine | EN300-113582-0.25g |
3-fluoro-4-methanesulfonamidobenzene-1-sulfonamide |
1152501-08-0 | 95% | 0.25g |
$347.0 | 2023-10-26 | |
| Enamine | EN300-113582-0.5g |
3-fluoro-4-methanesulfonamidobenzene-1-sulfonamide |
1152501-08-0 | 95% | 0.5g |
$546.0 | 2023-10-26 | |
| Enamine | EN300-113582-1.0g |
3-fluoro-4-methanesulfonamidobenzene-1-sulfonamide |
1152501-08-0 | 95% | 1g |
$0.0 | 2023-06-09 | |
| Enamine | EN300-113582-2.5g |
3-fluoro-4-methanesulfonamidobenzene-1-sulfonamide |
1152501-08-0 | 95% | 2.5g |
$1370.0 | 2023-10-26 | |
| Enamine | EN300-113582-5.0g |
3-fluoro-4-methanesulfonamidobenzene-1-sulfonamide |
1152501-08-0 | 95% | 5.0g |
$2028.0 | 2023-02-18 |
3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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4. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
Additional information on 3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide
Comprehensive Overview of 3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide (CAS No. 1152501-08-0)
3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide (CAS No. 1152501-08-0) is a specialized sulfonamide derivative with significant applications in pharmaceutical and chemical research. This compound, characterized by its unique fluoro and methanesulfonamide functional groups, has garnered attention for its potential in drug discovery and material science. Researchers are increasingly exploring its role in modulating biological pathways, particularly in the context of enzyme inhibition and receptor binding.
The molecular structure of 3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide features a benzene ring substituted with a fluorine atom at the 3-position and a methanesulfonamide group at the 4-position, along with a sulfonamide moiety at the 1-position. This arrangement imparts distinct electronic and steric properties, making it a valuable intermediate in synthetic chemistry. Recent studies highlight its utility in designing small-molecule inhibitors for targets such as carbonic anhydrases and tyrosine kinases, which are pivotal in treating conditions like cancer and metabolic disorders.
In the realm of drug development, CAS 1152501-08-0 is often discussed alongside trending topics such as precision medicine and personalized therapeutics. Its structural versatility allows for modifications that enhance bioavailability and target specificity, addressing common challenges in modern pharmacology. For instance, its sulfonamide group is known to interact with zinc ions in enzyme active sites, a feature exploited in developing anticonvulsants and diuretics.
From an industrial perspective, 3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide is synthesized through multi-step organic reactions, often involving electrophilic aromatic substitution and sulfonylation. Optimizing these processes is a focal point for chemists aiming to improve yield and purity. Environmental considerations also drive interest in green chemistry approaches, such as catalytic methods or solvent-free reactions, to minimize waste and energy consumption.
Analytical techniques like HPLC, NMR spectroscopy, and mass spectrometry are critical for characterizing this compound. Quality control protocols emphasize the detection of impurities, given its potential use in high-stakes applications. Regulatory compliance, particularly in regions like the U.S. FDA and European EMA, further underscores the need for rigorous standards in its production and handling.
Emerging trends in AI-driven drug discovery have also spotlighted CAS 1152501-08-0. Machine learning models predict its interactions with biological targets, accelerating the identification of novel therapeutic candidates. This aligns with growing public interest in computational chemistry and virtual screening, topics frequently searched in academic and industrial circles.
In summary, 3-Fluoro-4-methanesulfonamidobenzene-1-sulfonamide represents a convergence of chemical innovation and biomedical relevance. Its applications span from pharmaceutical intermediates to research tools, reflecting its adaptability to evolving scientific demands. As the fields of medicinal chemistry and materials science advance, this compound is poised to remain a subject of intensive study and practical utility.
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