| Sonrisas canónicas | C1=CC(=C(C=C1N)S(=O)(=O)N)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 5-amino-2-nitrobenzenesulfonamide |
| InChIKey | MLPYAHUTKYTLBU-UHFFFAOYSA-N |
| INCHI | 1S/C6H7N3O4S/c7-4-1-2-5(9(10)11)6(3-4)14(8,12)13/h1-3H,7H2,(H2,8,12,13) |
| Peso molecular | 217.21 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminobenzenesulfonamides |
| Alternative Parents | Nitrobenzenes Benzenesulfonyl compounds Nitroaromatic compounds Aniline and substituted anilines Organosulfonamides Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Aniline or substituted anilines - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic zwitterion - Organic nitrogen compound - Amine - Primary amine - Organosulfur compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 217.210 g/mol |
|---|---|
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 217.016 Da |
| Monoisotopic Mass | 217.016 Da |
| Topological Polar Surface Area | 140.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 317.000 |
| 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 |
