| Canonical Smiles | C1=C(C(=CC(=C1F)Br)S(=O)(=O)N)F |
|---|---|
| IUPAC Name | 5-bromo-2,4-difluorobenzenesulfonamide |
| InChIKey | VUBHGNHDBFATNY-UHFFFAOYSA-N |
| INCHI | 1S/C6H4BrF2NO2S/c7-3-1-6(13(10,11)12)5(9)2-4(3)8/h1-2H,(H2,10,11,12) |
| Isomeric SMILES | C1=C(C(=CC(=C1F)Br)S(=O)(=O)N)F |
| PubChem CID | 2773295 |
| Molecular Weight | 272.07 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 Fluorobenzenes Bromobenzenes Organosulfonamides Aryl fluorides Aryl bromides Aminosulfonyl compounds Organofluorides Organobromides Organic oxides Organic nitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzenesulfonyl group - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organofluoride - Organosulfur compound - Organic oxide - Aromatic homomonocyclic 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 | 272.070 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 270.911 Da |
| Monoisotopic Mass | 270.911 Da |
| Topological Polar Surface Area | 68.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 279.000 |
| 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 |
