| CAS Number | 19350-69-7 |
| Catalog Number | AG01CAIG(AGN-PC-0JM9I5) |
| Chemical Name | 4-Methylbenzenesulfonic acid 2-[(4-chlorophenyl)methylene]hydrazide |
| IUPAC Name | N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzenesulfonamide |
| InChI | InChI=1S/C14H13ClN2O2S/c1-11-2-8-14(9-3-11)20(18,19)17-16-10-12-4-6-13(15)7-5-12/h2-10,17H,1H3/b16-10+ |
| InChI Key | HAYVMYJAVSRNGS-MHWRWJLKSA-N |
| MDL Number | MFCD00115920 |
| Molecular Formula | C14H13ClN2O2S |
| Molecular Weight | 308.7832 |
| NSC Number | 338080 |
| SMILES | Cc1ccc(cc1)S(=O)(=O)NN=Cc2ccc(cc2)Cl |
| Synonyms | NSC338080,
19350-69-7,
AC1OAM8Q,
SCHEMBL13510934,
HMS543O20,
DTXSID40425915,
ZINC31769537,
AKOS003849388,
CCG-234791,
NSC-338080,
N'1-(4-chlorobenzylidene)-4-methylbenzene-1-sulfonohydrazide,
N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzenesulfonamide,
N'-[(1E)-(4-Chlorophenyl)methylidene]-4-methylbenzene-1-sulfonohydrazide,
CID6861424,
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| Complexity | 417 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 308.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.78g/mol |
| Monoisotopic Mass | 308.039g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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