| CAS Number | 566203-88-1 |
| Catalog Number | AG01EAB7(AGN-PC-0N2B6D) |
| Chemical Name | AZD 2098 - Bio-X |
| IUPAC Name | 2,3-dichloro-N-(3-methoxypyrazin-2-yl)benzenesulfonamide |
| InChI | InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16) |
| InChI Key | FLSMVCMSUNISFK-UHFFFAOYSA-N |
| MDL Number | MFCD31382158 |
| Molecular Formula | C11H9Cl2N3O3S |
| Molecular Weight | 334.1785 |
| SMILES | O=[S](NC1=NC=CN=C1OC)(C(C=CC=C2Cl)=C2Cl)=O |
| Synonyms | AZD2098,
566203-88-1,
AZD-2098,
2,3-dichloro-N-(3-methoxypyrazin-2-yl)benzenesulfonamide,
AZD 2098,
AZD 2098 - Bio-X,
GTPL9678,
SCHEMBL1731222,
FLSMVCMSUNISFK-UHFFFAOYSA-N,
BCP28962,
HY-U00064,
ZINC38476960,
CS-6789,
compound 47 [PMID: 28947948],
2,3-Dichloro-N-(3-methoxy-2-pyrazinyl)benzenesulphonamide,
2,3-dichloro-N-(3-methoxypyrazin-2-yl)-benzenesulfonamide,
CID10308720,
|
| Complexity | 418 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.171g/mol |
| Monoisotopic Mass | 332.974g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number