| Sonrisas canónicas | COC1=C(C=C(C=C1Cl)Br)S(=O)(=O)N |
|---|---|
| IUPAC Name | 5-bromo-3-chloro-2-methoxybenzenesulfonamide |
| InChIKey | CWBKZDQHBGGFAR-UHFFFAOYSA-N |
| INCHI | 1S/C7H7BrClNO3S/c1-13-7-5(9)2-4(8)3-6(7)14(10,11)12/h2-3H,1H3,(H2,10,11,12) |
| Isómeros SMILES | COC1=C(C=C(C=C1Cl)Br)S(=O)(=O)N |
| PubChem CID | 43164411 |
| Peso molecular | 300.55 |
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 | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Benzenesulfonyl compounds Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Bromobenzenes Organosulfonamides Aryl bromides Aryl chlorides Aminosulfonyl compounds Hydrocarbon derivatives Organic nitrogen compounds Organic oxides Organobromides Organochlorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound |
| Descripción | 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 |
| Peso molecular | 300.560 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 298.902 Da |
| Monoisotopic Mass | 298.902 Da |
| Topological Polar Surface Area | 77.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 292.000 |
| 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 |
