| Canonical Smiles | CCOC1=C(C=C(C=C1)C)S(=O)(=O)N2C=CN=C2C |
|---|---|
| IUPAC Name | 1-(2-ethoxy-5-methylphenyl)sulfonyl-2-methylimidazole |
| InChIKey | OONXDMUGXZDAKU-UHFFFAOYSA-N |
| INCHI | 1S/C13H16N2O3S/c1-4-18-12-6-5-10(2)9-13(12)19(16,17)15-8-7-14-11(15)3/h5-9H,4H2,1-3H3 |
| Molecular Weight | 280.340 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers N-substituted imidazoles Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - N-substituted imidazole - Azole - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Ether - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 280.340 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 280.088 Da |
| Monoisotopic Mass | 280.088 Da |
| Topological Polar Surface Area | 69.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 393.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
