| CAS Number | 188493-61-0 |
| Catalog Number | AG01CEB1(AGN-PC-0QHMTS) |
| Chemical Name | 4-Methyl-N'-[(1E)-(3,4,5-trimethoxyphenyl)methylidene]benzene-1-sulfonohydrazide |
| IUPAC Name | 4-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide |
| InChI | InChI=1S/C17H20N2O5S/c1-12-5-7-14(8-6-12)25(20,21)19-18-11-13-9-15(22-2)17(24-4)16(10-13)23-3/h5-11,19H,1-4H3/b18-11+ |
| InChI Key | GQELPZMKUNGLPC-WOJGMQOQSA-N |
| MDL Number | MFCD00116297 |
| Molecular Formula | C17H20N2O5S |
| Molecular Weight | 364.4161 |
| SMILES | S(=O)(=O)(C1=CC=C(C=C1)C)N/N=C/C1C=C(OC)C(=C(OC)C=1)OC |
| Synonyms | 188493-61-0,
AC1OBLD1,
HMS543N22,
AKOS003869714,
4-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide,
N'1-(3,4,5-trimethoxybenzylidene)-4-methylbenzene-1-sulfonohydrazide,
4-Methyl-N'-[(1E)-(3,4,5-trimethoxyphenyl)methylidene]benzene-1-sulfonohydrazide,
ZINC01036331,
CID6876306,
|
| Complexity | 512 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 364.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 364.416g/mol |
| Monoisotopic Mass | 364.109g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number