| CAS Number | 1770242-73-3 |
| Catalog Number | AG019F1E |
| Chemical Name | 4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide |
| IUPAC Name | 4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide |
| InChI | InChI=1S/C14H13BrFNO2S/c1-2-10-3-6-12(7-4-10)17-20(18,19)14-8-5-11(15)9-13(14)16/h3-9,17H,2H2,1H3 |
| InChI Key | NINABJPIFOKFAH-UHFFFAOYSA-N |
| MDL Number | MFCD28098725 |
| Molecular Formula | C14H13BrFNO2S |
| Molecular Weight | 358.2259 |
| SMILES | BrC1=CC(=C(C=C1)S(=O)(=O)NC1=CC=C(C=C1)CC)F |
| Synonyms | 4-BROMO-N-(4-ETHYLPHENYL)-2-FLUOROBENZENESULFONAMIDE,
1770242-73-3,
ZINC98073029,
CS-0061459,
4-Bromo-N-(4-ethylphenyl)-2-fluoro-benzenesulfonamide,
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| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 356.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.225g/mol |
| Monoisotopic Mass | 356.983g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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