| Canonical Smiles | CC1=C(C(=NN1)C)S(=O)(=O)N |
|---|---|
| IUPAC Name | 3,5-dimethyl-1H-pyrazole-4-sulfonamide |
| InChIKey | MHQFEOHPKNBRIC-UHFFFAOYSA-N |
| INCHI | 1S/C5H9N3O2S/c1-3-5(11(6,9)10)4(2)8-7-3/h1-2H3,(H,7,8)(H2,6,9,10) |
| Molecular Weight | 175.210 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic sulfonic acids and derivatives |
| Subclass | Organosulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organosulfonamides |
| Alternative Parents | Pyrazoles Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as organosulfonamides. These are compounds containing the sulfonamide functional group, an amide of sulfonic acid with the general structure R1S(=O)2N(R2)R3 (R1=alkyl, aryl; R2,R3=H, alkyl, aryl). |
| External Descriptors | Not available |
| Molecular Weight | 175.210 g/mol |
|---|---|
| XLogP3 | -0.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 175.042 Da |
| Monoisotopic Mass | 175.042 Da |
| Topological Polar Surface Area | 97.200 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 233.000 |
| 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 |
