| CAS Number | 415697-57-3 |
| Catalog Number | AG019ELB(AGN-PC-0RQMOI) |
| Chemical Name | 2-Bromo-N-(4,5-Dimethylisoxazol-3-Yl)-N-(Methoxymethyl)Benzenesulfonamide |
| IUPAC Name | 2-bromo-N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-(methoxymethyl)benzenesulfonamide |
| InChI | InChI=1S/C13H15BrN2O4S/c1-9-10(2)20-15-13(9)16(8-19-3)21(17,18)12-7-5-4-6-11(12)14/h4-7H,8H2,1-3H3 |
| InChI Key | IKXAQUWRNLFKGW-UHFFFAOYSA-N |
| MDL Number | MFCD30185863 |
| Molecular Formula | C13H15BrN2O4S |
| Molecular Weight | 375.2382 |
| SMILES | COCN(S(=O)(=O)c1ccccc1Br)c1noc(c1C)C |
| Synonyms | 2-Bromo-N-(4,5-dimethylisoxazol-3-yl)-N-(methoxymethyl)benzenesulfonamide,
415697-57-3,
SCHEMBL6694770,
MFCD30185863,
AKOS027430199,
ZINC140926391,
CS-0036059,
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| Complexity | 442 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 373.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 375.237g/mol |
| Monoisotopic Mass | 373.994g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 81A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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