| CAS Number | 1884640-99-6 |
| Catalog Number | AG01ENL2(AGN-PC-3H45OK) |
| Chemical Name | 4-Cyano-N-(1,2-dihydro-1,3-dimethyl-2-oxo-6-quinolinyl)benzenesulfonamide |
| IUPAC Name | 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide |
| InChI | InChI=1S/C18H15N3O3S/c1-12-9-14-10-15(5-8-17(14)21(2)18(12)22)20-25(23,24)16-6-3-13(11-19)4-7-16/h3-10,20H,1-2H3 |
| InChI Key | BMVCSXFOQPYKKC-UHFFFAOYSA-N |
| MDL Number | MFCD30290161 |
| Molecular Formula | C18H15N3O3S |
| Molecular Weight | 353.3950 |
| SMILES | CN1C(C(C)=CC2=CC(NS(C3=CC=C(C#N)C=C3)(=O)=O)=CC=C21)=O |
| Synonyms | 1884640-99-6,
4-Cyano-N-(1,2-dihydro-1,3-dimethyl-2-oxo-6-quinolinyl)benzenesulfonamide,
CHEMBL4102050,
SCHEMBL17576473,
NI 42,
AKOS027470288,
ZINC427298343,
NI-42, >=98% (HPLC),
J3.613.254J,
N-(1,2-Dihydro-1,3-dimethyl-2-oxoquinoline-6-yl)-4-cyanobenzenesulfonamide,
BMVCSXFOQPYKKC-UHFFFAOYSA-N,
|
| Complexity | 708 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.396g/mol |
| Monoisotopic Mass | 353.083g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 98.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number