| CAS Number | 881282-85-5 |
| Catalog Number | AG01DTTT(AGN-PC-0KYBQ3) |
| Chemical Name | 4-bromo-N-ethyl-N-(3-methylphenyl)benzenesulfonamide |
| IUPAC Name | 4-bromo-N-ethyl-N-(3-methylphenyl)benzenesulfonamide |
| InChI | InChI=1S/C15H16BrNO2S/c1-3-17(14-6-4-5-12(2)11-14)20(18,19)15-9-7-13(16)8-10-15/h4-11H,3H2,1-2H3 |
| InChI Key | XDKFPWSFHKRJQJ-UHFFFAOYSA-N |
| MDL Number | MFCD03495142 |
| Molecular Formula | C15H16BrNO2S |
| Molecular Weight | 354.2620 |
| SMILES | O=S(C1=CC=C(Br)C=C1)(N(CC)C2=CC=CC(C)=C2)=O |
| Synonyms | 881282-85-5,
4-Bromo-N-ethyl-N-(3-methylphenyl)-Benzenesulfonamide,
4-bromo-N-ethyl-N-(3-methylphenyl)benzenesulfonamide,
AC1MUQXH,
ZINC5234075,
AKOS008969331,
AB00038459-01,
ZINC05234075,
CID3670390,
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| Complexity | 399 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.262g/mol |
| Monoisotopic Mass | 353.009g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number