Cas no 1194687-97-2 (2-cyano-5-methylbenzene-1-sulfonamide)
2-Cyano-5-methylbenzene-1-sulfonamide is a specialized organic compound featuring a sulfonamide functional group attached to a benzene ring substituted with a cyano group and a methyl group at the 2- and 5-positions, respectively. This structure imparts unique reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The electron-withdrawing cyano group enhances the sulfonamide's electrophilic character, facilitating nucleophilic substitution reactions, while the methyl group contributes to steric and electronic modulation. Its well-defined molecular architecture allows for precise functionalization, supporting applications in drug discovery and material science. The compound's stability under standard conditions ensures consistent performance in synthetic workflows.
1194687-97-2 structure
Product Name:2-cyano-5-methylbenzene-1-sulfonamide
CAS No:1194687-97-2
MF:C8H8N2O2S
MW:196.226320266724
MDL:MFCD16704962
CID:2129401
Update Time:2025-10-16
2-cyano-5-methylbenzene-1-sulfonamide Chemical and Physical Properties
Names and Identifiers
-
- 2-cyano-5-methyl-benzenesulfonic acid amide
- 2-cyano-5-methylbenzenesulfonamide
- CID 62308705
- Benzenesulfonamide, 2-cyano-5-methyl-
- 2-cyano-5-methylbenzene-1-sulfonamide
-
- MDL： MFCD16704962
- Inchi： 1S/C8H8N2O2S/c1-6-2-3-7(5-9)8(4-6)13(10,11)12/h2-4H,1H3,(H2,10,11,12)
- InChI Key： SOTIXMUHJHUUCP-UHFFFAOYSA-N
- SMILES： S(C1C(C#N)=CC=C(C)C=1)(N)(=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 322
- Topological Polar Surface Area: 92.3
Experimental Properties
- Density: 1.40±0.1 g/cm3(Predicted)
- Boiling Point: 447.3±55.0 °C(Predicted)
- pka: 9.46±0.60(Predicted)
2-cyano-5-methylbenzene-1-sulfonamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A010003963-250mg |
2-Cyano-5-methylbenzenesulfonamide |
1194687-97-2 | 97% | 250mg |
$484.80 | 2023-09-04 | |
| Alichem | A010003963-500mg |
2-Cyano-5-methylbenzenesulfonamide |
1194687-97-2 | 97% | 500mg |
$839.45 | 2023-09-04 | |
| Alichem | A010003963-1g |
2-Cyano-5-methylbenzenesulfonamide |
1194687-97-2 | 97% | 1g |
$1460.20 | 2023-09-04 | |
| Enamine | EN300-274540-0.05g |
2-cyano-5-methylbenzene-1-sulfonamide |
1194687-97-2 | 0.05g |
$69.0 | 2023-09-10 | ||
| Enamine | EN300-274540-0.1g |
2-cyano-5-methylbenzene-1-sulfonamide |
1194687-97-2 | 0.1g |
$105.0 | 2023-09-10 | ||
| Enamine | EN300-274540-0.25g |
2-cyano-5-methylbenzene-1-sulfonamide |
1194687-97-2 | 0.25g |
$149.0 | 2023-09-10 | ||
| Enamine | EN300-274540-0.5g |
2-cyano-5-methylbenzene-1-sulfonamide |
1194687-97-2 | 0.5g |
$284.0 | 2023-09-10 | ||
| Enamine | EN300-274540-1g |
2-cyano-5-methylbenzene-1-sulfonamide |
1194687-97-2 | 1g |
$385.0 | 2023-09-10 | ||
| Enamine | EN300-274540-5g |
2-cyano-5-methylbenzene-1-sulfonamide |
1194687-97-2 | 5g |
$1115.0 | 2023-09-10 | ||
| Enamine | EN300-274540-10g |
2-cyano-5-methylbenzene-1-sulfonamide |
1194687-97-2 | 10g |
$1654.0 | 2023-09-10 |
2-cyano-5-methylbenzene-1-sulfonamide Related Literature
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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
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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