2-Bromobenzenesulfonamide - CAS 92748-09-9
Catalog: |
BB040604 |
Product Name: |
2-Bromobenzenesulfonamide |
CAS: |
92748-09-9 |
Synonyms: |
2-bromobenzenesulfonamide |
IUPAC Name: | 2-bromobenzenesulfonamide |
Description: | 2-Bromobenzenesulfonamide (CAS# 92748-09-9) is a useful research chemical. |
Molecular Weight: | 236.09 |
Molecular Formula: | C6H6BrNO2S |
Canonical SMILES: | C1=CC=C(C(=C1)S(=O)(=O)N)Br |
InChI: | InChI=1S/C6H6BrNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10) |
InChI Key: | YSFGGXNLZUSHHS-UHFFFAOYSA-N |
Boiling Point: | 374.5 ℃ at 760 mmHg |
Melting Point: | 192-193 ℃ |
Purity: | 98 % |
Density: | 1.754 g/cm3 |
MDL: | MFCD00173662 |
LogP: | 2.87760 |
Publication Number | Title | Priority Date |
WO-2020216701-A1 | Acyl sulfonamides for treating cancer | 20190425 |
WO-2020157668-A1 | Theophylline derivatives with nematocidal activity, their agronomic compositions and relative use | 20190130 |
EP-3431474-A1 | Chemical compounds | 20170721 |
EP-3655405-A1 | Chemical compounds | 20170721 |
WO-2019016393-A1 | CHEMICAL COMPOUNDS | 20170721 |
PMID | Publication Date | Title | Journal |
22230050 | 20120201 | Synthesis and carbonic anhydrase inhibitory properties of novel cyclohexanonyl bromophenol derivatives | Bioorganic & medicinal chemistry letters |
14723963 | 20040115 | Combining NMR and molecular modelling in a drug delivery context: investigation of the multi-mode inclusion of a new NPY-5 antagonist bromobenzenesulfonamide into beta-cyclodextrin | Bioorganic & medicinal chemistry |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.93026 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.93026 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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