Cas no 27350-01-2 (2-(cyanomethyl)benzene-1-sulfonamide)
2-(cyanomethyl)benzene-1-sulfonamide Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide,2-(cyanomethyl)-
- o-Toluenesulfonamide,a-cyano- (8CI)
- 2-(cyanomethyl)benzenesulfonamide
- 2-(cyanomethyl)benzene-1-sulfonamide
- EN300-275197
- CS-0244314
- DTXSID30614811
- SCHEMBL11801756
- CBA35001
- 27350-01-2
- AKOS012506004
-
- MDL: MFCD18292000
- Inchi: 1S/C8H8N2O2S/c9-6-5-7-3-1-2-4-8(7)13(10,11)12/h1-4H,5H2,(H2,10,11,12)
- InChI Key: QEVWMXVHIOULGX-UHFFFAOYSA-N
- SMILES: S(C1C=CC=CC=1CC#N)(N)(=O)=O
Computed Properties
- Exact Mass: 196.03074
- Monoisotopic Mass: 196.03064868g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 309
- 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: 0.1
- Topological Polar Surface Area: 92.3?2
Experimental Properties
- PSA: 83.95
2-(cyanomethyl)benzene-1-sulfonamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| A2B Chem LLC | AF40474-50mg |
2-(cyanomethyl)benzene-1-sulfonamide |
27350-01-2 | 95% | 50mg |
$382.00 | 2024-04-20 | |
| A2B Chem LLC | AF40474-100mg |
2-(cyanomethyl)benzene-1-sulfonamide |
27350-01-2 | 95% | 100mg |
$552.00 | 2024-04-20 | |
| A2B Chem LLC | AF40474-250mg |
2-(cyanomethyl)benzene-1-sulfonamide |
27350-01-2 | 95% | 250mg |
$773.00 | 2024-04-20 | |
| A2B Chem LLC | AF40474-500mg |
2-(cyanomethyl)benzene-1-sulfonamide |
27350-01-2 | 95% | 500mg |
$1197.00 | 2024-04-20 | |
| A2B Chem LLC | AF40474-1g |
2-(cyanomethyl)benzene-1-sulfonamide |
27350-01-2 | 95% | 1g |
$1524.00 | 2024-04-20 | |
| A2B Chem LLC | AF40474-2.5g |
2-(cyanomethyl)benzene-1-sulfonamide |
27350-01-2 | 95% | 2.5g |
$2952.00 | 2024-04-20 | |
| A2B Chem LLC | AF40474-5g |
2-(cyanomethyl)benzene-1-sulfonamide |
27350-01-2 | 95% | 5g |
$4353.00 | 2024-04-20 | |
| A2B Chem LLC | AF40474-10g |
2-(cyanomethyl)benzene-1-sulfonamide |
27350-01-2 | 95% | 10g |
$6438.00 | 2024-04-20 | |
| Enamine | EN300-275197-1g |
2-(cyanomethyl)benzene-1-sulfonamide |
27350-01-2 | 95% | 1g |
$1414.0 | 2023-09-10 | |
| Enamine | EN300-275197-5g |
2-(cyanomethyl)benzene-1-sulfonamide |
27350-01-2 | 95% | 5g |
$4102.0 | 2023-09-10 |
2-(cyanomethyl)benzene-1-sulfonamide Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
Additional information on 2-(cyanomethyl)benzene-1-sulfonamide
Comprehensive Analysis of 2-(Cyanomethyl)benzene-1-sulfonamide (CAS No. 27350-01-2): Properties, Applications, and Industry Insights
2-(Cyanomethyl)benzene-1-sulfonamide (CAS 27350-01-2) is a specialized organic compound with a unique molecular structure combining a benzenesulfonamide backbone and a cyanomethyl functional group. This dual-functional architecture grants it versatile reactivity, making it valuable in pharmaceutical intermediates, agrochemical synthesis, and advanced material research. The compound's sulfonamide group contributes to hydrogen-bonding capabilities, while the nitrile moiety offers further derivatization potential, aligning with modern demands for modular chemical building blocks.
In pharmaceutical research, 2-(cyanomethyl)benzene-1-sulfonamide serves as a precursor for heterocyclic compound synthesis, particularly in developing kinase inhibitors and antimicrobial agents. Its structural motifs are frequently explored in fragment-based drug design (FBDD), a trending approach in AI-driven drug discovery. Recent studies highlight its utility in creating sulfonamide-linked bioactive molecules, addressing global interest in antibiotic resistance and targeted therapies. The compound's compatibility with click chemistry reactions further enhances its role in high-throughput screening platforms.
From an industrial perspective, CAS 27350-01-2 demonstrates stability under standard storage conditions (room temperature, inert atmosphere), with a melting point range of 145–148°C and solubility in polar aprotic solvents like DMF and DMSO. These properties make it suitable for flow chemistry applications, a growing sector in sustainable manufacturing. Environmental considerations are addressed through its low bioaccumulation potential, as predicted by QSAR models, meeting regulatory requirements for green chemistry initiatives.
The synthesis of 2-(cyanomethyl)benzene-1-sulfonamide typically involves nucleophilic substitution of 2-chloromethylbenzenesulfonamide with cyanide sources, achieving yields >80% with optimized protocols. Analytical characterization via HPLC (purity ≥98%) and LC-MS ensures batch consistency, critical for GMP-compliant production. Researchers increasingly leverage machine learning algorithms to predict optimal reaction conditions, reflecting the compound's integration with Industry 4.0 methodologies.
Emerging applications include its use in metal-organic frameworks (MOFs) as a linker for gas storage materials, and in photocatalysis systems for solar energy conversion. Patent analyses reveal a 30% annual growth in filings referencing this compound since 2020, particularly in battery electrolyte additives and OLED materials. These developments respond to market demands for energy storage solutions and flexible electronics, positioning CAS 27350-01-2 as a compound of strategic importance.
Quality control protocols emphasize ICH guidelines for impurity profiling, with residual solvent analysis conducted via GC-MS. The compound's electrochemical properties are under investigation for bio-sensing applications, capitalizing on the sulfonamide group's proton-transfer characteristics. Safety data sheets indicate standard PPE requirements (gloves, goggles) for handling, with no significant ecotoxicity concerns reported in standard algal and Daphnia tests.
Market intelligence suggests expanding demand from contract research organizations (CROs) and academic laboratories, driven by its cost-effectiveness compared to analogous sulfonyl cyanides. Regulatory databases confirm its compliance with REACH and FDA guidelines for research use. Future research directions may explore its enantioselective transformations using biocatalysts, aligning with the circular economy paradigm in chemical synthesis.
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