| Sonrisas canónicas | CS(=O)(=O)C1=C(C=C(C=C1F)N)F |
|---|---|
| IUPAC Name | 3,5-difluoro-4-methylsulfonylaniline |
| InChIKey | JPKXSAJMHXZVRU-UHFFFAOYSA-N |
| INCHI | 1S/C7H7F2NO2S/c1-13(11,12)7-5(8)2-4(10)3-6(7)9/h2-3H,10H2,1H3 |
| Isómeros SMILES | CS(=O)(=O)C1=C(C=C(C=C1F)N)F |
| PubChem CID | 50989317 |
| Peso molecular | 207.19 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfonylanilines |
| Alternative Parents | Benzenesulfonyl compounds Fluorobenzenes Aryl fluorides Sulfones Primary amines Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Sulfonylaniline - Benzenesulfonyl group - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Sulfone - Sulfonyl - Primary amine - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as sulfonylanilines. These are compounds containing an aniline moiety, which is para-substituted by a sulfonyl group. |
| External Descriptors | Not available |
| Peso molecular | 207.200 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 207.017 Da |
| Monoisotopic Mass | 207.017 Da |
| Topological Polar Surface Area | 68.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 263.000 |
| 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 |
