ChemDiv3_012969
6-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
Also Known As: ChemDiv3_012969|6-{[(2-Cyanoethyl)(methyl)amino]sulfonyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid|SR-01000102331-1|6-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid|BRD-K41982766-001-01-7|3-quinolinecarboxylic acid, 6-[[(2-cyanoethyl)methylamino]sulfonyl]-1,4-dihydro-4-oxo-|6-[(2-CYANOETHYL)(METHYL)SULFAMOYL]-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID
| Molecular Formula | C14H13N3O5S |
|---|---|
| Molecular Weight | 335.0576 g/mol |
| LogP | 0.76048 |
| Topological Polar Surface Area | 131.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.0576 |
| Monoisotopic Mass | 335.0576 |
| Heavy Atoms | 23 |
| Complexity | 972.0508 |
Chemical Identifiers
| CAS Number | 317329-41-2 |
|---|---|
| SMILES | CN(CCC#N)S(=O)(=O)C1=CC2=C(C=C1)NC=C(C2=O)C(=O)O |
Product Overview
ChemDiv3_012969 (CAS 317329-41-2), with molecular formula C14H13N3O5S and molecular weight 335.0576 g/mol. IUPAC: 6-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid.
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