| CAS Number | 1013573-81-3 |
| Catalog Number | AG019EMM |
| Chemical Name | 4-bromo-N-(2-chloro-4-methylphenyl)benzene-1-sulfonamide |
| IUPAC Name | 4-bromo-N-(2-chloro-4-methylphenyl)benzenesulfonamide |
| InChI | InChI=1S/C13H11BrClNO2S/c1-9-2-7-13(12(15)8-9)16-19(17,18)11-5-3-10(14)4-6-11/h2-8,16H,1H3 |
| InChI Key | SYQUTEWEPFVKBR-UHFFFAOYSA-N |
| MDL Number | MFCD10170248 |
| Molecular Formula | C13H11BrClNO2S |
| Molecular Weight | 360.6539 |
| SMILES | Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)c(Cl)c1 |
| Synonyms | 4-bromo-N-(2-chloro-4-methylphenyl)benzenesulfonamide,
1013573-81-3,
ZINC16124946,
AKOS000948985,
SC-56599,
CS-0061230,
4-Bromo-N-(2-chloro-4-methyl-phenyl)-benzenesulfon,
4-Bromo-N-(2-chloro-4-methylphenyl)-benzenesulfonamide,
|
| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.938g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.65g/mol |
| Monoisotopic Mass | 358.938g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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