| CAS Number | 75230-52-3 |
| Catalog Number | AG01DTTM |
| Chemical Name | N'-[(1E)-1-(3-bromophenyl)ethylidene]-4-methylbenzene-1-sulfonohydrazide |
| IUPAC Name | N-[(E)-1-(3-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide |
| InChI | InChI=1S/C15H15BrN2O2S/c1-11-6-8-15(9-7-11)21(19,20)18-17-12(2)13-4-3-5-14(16)10-13/h3-10,18H,1-2H3/b17-12+ |
| InChI Key | NFIMDMPKBKXVCH-SFQUDFHCSA-N |
| MDL Number | MFCD01337950 |
| Molecular Formula | C15H15BrN2O2S |
| Molecular Weight | 367.2608 |
| SMILES | Cc1ccc(cc1)S(=O)(=O)NN=C(C)c2cccc(c2)Br |
| Synonyms | 75230-52-3,
N'-(1-(3-Bromophenyl)ethylidene)-4-methylbenzenesulfonohydrazide,
STK375362,
AKOS003249663,
AS-71647,
ST50913972,
N-(1-(3-bromophenyl)ethylidene)-4-methylbenzenesulfonohydrazide,
[(1E)-2-(3-bromophenyl)-1-azaprop-1-enyl][(4-methylphenyl)sulfonyl]amine,
N'-[(1E)-1-(3-bromophenyl)ethylidene]-4-methylbenzene-1-sulfonohydrazide,
N'-[(1E)-1-(3-bromophenyl)ethylidene]-4-methylbenzenesulfonohydrazide,
ZINC04143633,
CID9633788,
|
| Complexity | 465 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 366.00376g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.3g/mol |
| Monoisotopic Mass | 366.00376g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number