| CAS Number | 379730-31-1 |
| Catalog Number | AG019GNV |
| Chemical Name | 6-Diethylsulfamoyl-2-hydroxy-quinoline-4-carboxylic acid |
| IUPAC Name | 6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxylic acid |
| InChI | InChI=1S/C14H16N2O5S/c1-3-16(4-2)22(20,21)9-5-6-12-10(7-9)11(14(18)19)8-13(17)15-12/h5-8H,3-4H2,1-2H3,(H,15,17)(H,18,19) |
| InChI Key | ZLCXXWQTSCMBKW-UHFFFAOYSA-N |
| MDL Number | MFCD03152864 |
| Molecular Formula | C14H16N2O5S |
| Molecular Weight | 324.3522 |
| SMILES | CCN(S(C1=CC2=C(N=C(C=C2C(O)=O)O)C=C1)(=O)=O)CC |
| Synonyms | 6-(diethylsulfamoyl)-2-hydroxyquinoline-4-carboxylic acid,
379730-31-1,
6-Diethylsulfamoyl-2-hydroxy-quinoline-4-carboxylic acid,
AC1M6BIZ,
AC1Q2ZJY,
Oprea1_118858,
CTK6E8675,
6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxylic Acid,
HMS1782M12,
ZINC3227425,
AKOS000114964,
AKOS015935751,
MCULE-4694977082,
NE23195,
EN300-00618,
Z56828962,
6-(diethylsulfamoyl)-2-oxo-1,2-dihydroquinoline-4-carboxylic acid,
6-[(diethylamino)sulfonyl]-2-oxo-1,2-dihydroquinoline-4-carboxylic acid,
CID2345617,
|
| Complexity | 589 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.351g/mol |
| Monoisotopic Mass | 324.078g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number