| Canonical Smiles | C1=C(N=CS1)S(=O)(=O)N |
|---|---|
| IUPAC Name | 1,3-thiazole-4-sulfonamide |
| InChIKey | CCWMGEAHQMJNQM-UHFFFAOYSA-N |
| INCHI | 1S/C3H4N2O2S2/c4-9(6,7)3-1-8-2-5-3/h1-2H,(H2,4,6,7) |
| Molecular Weight | 164.210 |
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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 | Thiazoles 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 - Thiazole - Sulfonyl - 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 | 164.210 g/mol |
|---|---|
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 163.971 Da |
| Monoisotopic Mass | 163.971 Da |
| Topological Polar Surface Area | 110.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 182.000 |
| 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 |
