| CAS Number | 1312305-74-0 |
| Catalog Number | AG019ESJ |
| Chemical Name | 4-bromo-2-fluoro-N-(3-methoxyphenyl)benzene-1-sulfonamide |
| IUPAC Name | 4-bromo-2-fluoro-N-(3-methoxyphenyl)benzenesulfonamide |
| InChI | InChI=1S/C13H11BrFNO3S/c1-19-11-4-2-3-10(8-11)16-20(17,18)13-6-5-9(14)7-12(13)15/h2-8,16H,1H3 |
| InChI Key | PBUWISWKVDIVFR-UHFFFAOYSA-N |
| MDL Number | MFCD20037277 |
| Molecular Formula | C13H11BrFNO3S |
| Molecular Weight | 360.1987 |
| SMILES | COc1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1 |
| Synonyms | 4-bromo-2-fluoro-N-(3-methoxyphenyl)benzenesulfonamide,
1312305-74-0,
ZINC68741090,
MCULE-4489507334,
CS-0061990,
AO-854/43457727,
4-Bromo-2-fluoro-N-(3-methoxyphenyl)-benzenesulfonamide,
PBUWISWKVDIVFR-UHFFFAOYSA-N,
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| Complexity | 414 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.197g/mol |
| Monoisotopic Mass | 358.963g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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