| CAS Number | 19350-76-6 |
| Catalog Number | AG00B6VL(AGN-PC-0JOY6J) |
| Chemical Name | 4-methyl-N'-[(1E)-(pyridin-3-yl)methylidene]benzene-1-sulfonohydrazide |
| IUPAC Name | 4-methyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide |
| InChI | InChI=1S/C13H13N3O2S/c1-11-4-6-13(7-5-11)19(17,18)16-15-10-12-3-2-8-14-9-12/h2-10,16H,1H3 |
| InChI Key | PMQPVPKXDUISEM-UHFFFAOYSA-N |
| MDL Number | MFCD00136168 |
| Molecular Formula | C13H13N3O2S |
| Molecular Weight | 275.3262 |
| SMILES | S(=O)(=O)(NN=CC1(=CN=CC=C1))C2(=CC=C(C)C=C2) |
| Synonyms | 19350-76-6,
AC1L80GU,
4-Methyl-N-(3-pyridylmethyleneamino)benzenesulfonamide,
4-methyl-N'-[(1E)-(pyridin-3-yl)methylidene]benzene-1-sulfonohydrazide,
PMQPVPKXDUISEM-UHFFFAOYSA-N,
HMS2486F09,
MCULE-4944571949,
KS-0000291P,
4-methyl-N-(3-pyridylmethyleneamino) benzene sulfonamide,
4-methyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide,
4-methyl-N'-[(E)-3-pyridinylmethylidene]benzenesulfonohydrazide,
CID319544,
NSC263849,
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| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.326g/mol |
| Monoisotopic Mass | 275.073g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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