Cas no 1773-42-8 (4-isocyanatobenzene-1-sulfonamide)
4-isocyanatobenzene-1-sulfonamide Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide,4-isocyanato-
- 4-isocyanatobenzenesulfonamide
- Benzenesulfonamide, 4-isocyanato- (9CI)
- 4-isocyanatobenzene-1-sulfonamide
- EN300-144238
- 1773-42-8
- Benzenesulfonamide, 4-isocyanato-
- DTXSID60614869
- IYSAYSBNKDUNKZ-UHFFFAOYSA-N
- SCHEMBL242025
- 4-Isocyanato-benzenesulfonamide
-
- Inchi: 1S/C7H6N2O3S/c8-13(11,12)7-3-1-6(2-4-7)9-5-10/h1-4H,(H2,8,11,12)
- InChI Key: IYSAYSBNKDUNKZ-UHFFFAOYSA-N
- SMILES: S(C1C=CC(=CC=1)N=C=O)(N)(=O)=O
Computed Properties
- Exact Mass: 198.00998
- Monoisotopic Mass: 198.00991323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 305
- 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: 1.5
- Topological Polar Surface Area: 98?2
Experimental Properties
- PSA: 89.59
4-isocyanatobenzene-1-sulfonamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| 1PlusChem | 1P0025OT-50mg |
Benzenesulfonamide, 4-isocyanato- |
1773-42-8 | 95% | 50mg |
$672.00 | 2024-06-19 | |
| 1PlusChem | 1P0025OT-100mg |
Benzenesulfonamide, 4-isocyanato- |
1773-42-8 | 95% | 100mg |
$858.00 | 2024-06-19 | |
| 1PlusChem | 1P0025OT-250mg |
Benzenesulfonamide, 4-isocyanato- |
1773-42-8 | 95% | 250mg |
$1199.00 | 2024-06-19 | |
| 1PlusChem | 1P0025OT-500mg |
Benzenesulfonamide, 4-isocyanato- |
1773-42-8 | 95% | 500mg |
$1853.00 | 2024-06-19 | |
| 1PlusChem | 1P0025OT-1g |
Benzenesulfonamide, 4-isocyanato- |
1773-42-8 | 95% | 1g |
$2358.00 | 2024-06-19 | |
| 1PlusChem | 1P0025OT-2.5g |
Benzenesulfonamide, 4-isocyanato- |
1773-42-8 | 95% | 2.5g |
$4563.00 | 2024-06-19 | |
| 1PlusChem | 1P0025OT-5g |
Benzenesulfonamide, 4-isocyanato- |
1773-42-8 | 95% | 5g |
$6721.00 | 2024-06-19 | |
| Enamine | EN300-144238-0.05g |
4-isocyanatobenzene-1-sulfonamide |
1773-42-8 | 95% | 0.05g |
$493.0 | 2023-02-15 | |
| Enamine | EN300-144238-0.1g |
4-isocyanatobenzene-1-sulfonamide |
1773-42-8 | 95% | 0.1g |
$644.0 | 2023-02-15 | |
| Enamine | EN300-144238-0.25g |
4-isocyanatobenzene-1-sulfonamide |
1773-42-8 | 95% | 0.25g |
$920.0 | 2023-02-15 |
4-isocyanatobenzene-1-sulfonamide Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
Additional information on 4-isocyanatobenzene-1-sulfonamide
Recent Advances in the Application of 4-Isocyanatobenzene-1-sulfonamide (CAS: 1773-42-8) in Chemical Biology and Pharmaceutical Research
4-Isocyanatobenzene-1-sulfonamide (CAS: 1773-42-8) is a versatile chemical compound that has garnered significant attention in recent years due to its potential applications in chemical biology and pharmaceutical research. This sulfonamide derivative, characterized by its reactive isocyanate group, has been employed as a key intermediate in the synthesis of various biologically active molecules. Recent studies have explored its utility in drug discovery, particularly in the development of enzyme inhibitors and targeted therapeutics. The compound's unique chemical properties, including its ability to form stable covalent bonds with nucleophilic residues in proteins, make it a valuable tool for probing biological systems and designing novel pharmacophores.
One of the most notable advancements in the application of 4-isocyanatobenzene-1-sulfonamide is its role in the development of carbonic anhydrase inhibitors. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that derivatives of this compound exhibit potent inhibitory activity against several carbonic anhydrase isoforms, which are implicated in various pathological conditions, including glaucoma, epilepsy, and cancer. The researchers utilized structure-activity relationship (SAR) studies to optimize the compound's binding affinity and selectivity, leading to the identification of promising drug candidates with improved pharmacokinetic properties.
In addition to its therapeutic potential, 4-isocyanatobenzene-1-sulfonamide has also been employed as a chemical probe in proteomics research. A recent study in Nature Chemical Biology highlighted its use in activity-based protein profiling (ABPP), where it was shown to selectively label and identify active sites of sulfonamide-binding enzymes in complex biological samples. This approach provides valuable insights into enzyme function and facilitates the discovery of new drug targets. The study further demonstrated the compound's utility in mapping the interactome of sulfonamide-binding proteins, offering a powerful tool for understanding cellular signaling pathways.
The synthetic versatility of 4-isocyanatobenzene-1-sulfonamide has also been explored in materials science. A 2022 publication in ACS Applied Materials & Interfaces reported its use as a cross-linking agent in the fabrication of functional polymers with tunable properties. The researchers demonstrated that the compound's isocyanate group could react with hydroxyl or amine functionalities to form polyurethane or polyurea networks, respectively. These materials exhibited enhanced mechanical strength and chemical stability, making them suitable for applications in drug delivery systems and biomedical devices.
Despite these promising developments, challenges remain in the widespread adoption of 4-isocyanatobenzene-1-sulfonamide in pharmaceutical applications. Issues such as its reactivity profile, potential toxicity, and metabolic stability need to be carefully addressed in future studies. However, ongoing research efforts, including computational modeling and high-throughput screening, are expected to further elucidate its potential and expand its applications in chemical biology and drug discovery. As the field continues to evolve, 4-isocyanatobenzene-1-sulfonamide is poised to play an increasingly important role in the development of next-generation therapeutics and chemical tools.
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