| CAS Number | 158918-48-0 |
| Catalog Number | AG01DTT9(AGN-PC-0L6DX4) |
| Chemical Name | N'-(3-bromobenzylidene)-4-methylbenzenesulfonohydrazide |
| IUPAC Name | N-[(3-bromophenyl)methylideneamino]-4-methylbenzenesulfonamide |
| InChI | InChI=1S/C14H13BrN2O2S/c1-11-5-7-14(8-6-11)20(18,19)17-16-10-12-3-2-4-13(15)9-12/h2-10,17H,1H3 |
| InChI Key | ZXUZXCODFXAQCM-UHFFFAOYSA-N |
| MDL Number | MFCD00850123 |
| Molecular Formula | C14H13BrN2O2S |
| Molecular Weight | 353.2342 |
| SMILES | c1(cccc(c1)/C=N/NS(=O)(=O)c1ccc(cc1)C)Br |
| Synonyms | N-(3-Bromobenzylidene)-4-methylbenzenesulfonohydrazide,
158918-48-0,
AC1N4R45,
ZINC02755927,
ZINC03968611,
MCULE-3013350284,
N'-(3-bromobenzylidene)-4-methylbenzenesulfonohydrazide,
N-[(3-bromophenyl)methylideneamino]-4-methylbenzenesulfonamide,
ZINC02755926,
CID4159889,
|
| Complexity | 425 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.234g/mol |
| Monoisotopic Mass | 351.988g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number