| CAS Number | 1184422-06-7 |
| Catalog Number | AG01DH9S |
| Chemical Name | N-benzyl-4-bromo-N-(propan-2-yl)benzene-1-sulfonamide |
| IUPAC Name | N-benzyl-4-bromo-N-propan-2-ylbenzenesulfonamide |
| InChI | InChI=1S/C16H18BrNO2S/c1-13(2)18(12-14-6-4-3-5-7-14)21(19,20)16-10-8-15(17)9-11-16/h3-11,13H,12H2,1-2H3 |
| InChI Key | VVWCOLNRPDNRBC-UHFFFAOYSA-N |
| MDL Number | MFCD31803188 |
| Molecular Formula | C16H18BrNO2S |
| Molecular Weight | 368.2886 |
| SMILES | CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 |
| Synonyms | 4-Bromo-N-(1-methylethyl)-N-(phenylmethyl)-Benzenesulfonamide,
1184422-06-7,
AC1P8HBZ,
AKOS008682915,
N-benzyl-4-bromo-N-propan-2-ylbenzenesulfonamide,
ZINC07377487,
CID8471446,
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| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 368.289g/mol |
| Monoisotopic Mass | 367.024g/mol |
| Rotatable Bond Count | 5 |
| 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
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