2-Hydroxy-6-[(3-methylphenyl)sulfamoyl]quinoline-4-carboxylic acid
Basic information
- CAS
721418-33-3- Standard SMILES
Cc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)O)c3c2)c1- InChIKey
FYMMPGWOEJBHLK-UHFFFAOYSA-N- Molecular formula
- C17H14N2O5S
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.06234272
Names & identifiers
- Preferred name
- 2-Hydroxy-6-[(3-methylphenyl)sulfamoyl]quinoline-4-carboxylic acid
- IUPAC
- 6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid
Names & synonyms
721418-33-32-hydroxy-6-[(3-methylphenyl)sulfamoyl]quinoline-4-carboxylic acid6-[(3-methylphenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic Acid2-Hydroxy-6-m-tolylsulfamoyl-quinoline-4-carboxylic acidMLS000417622CHEMBL1340373DTXSID501321797AKOS034462053SMR000242740CS-0219554EN300-04321G21399
Show more names
Z568623076-(m-tolylsulfamoyl)-2-oxo-1H-quinoline-4-carboxylic acid2-hydroxy-6-[(3-methylphenyl)sulfamoyl]quinoline-4-carboxylicacid6-[(3-methylphenyl)sulfamoyl]-2-oxo-1,2-dihydroquinoline-4-carboxylic acid
Database identifiers
- CAS
721418-33-3- PubChem CID
- 2396440
- DTXSID
DTXSID501321797- ChEMBL
CHEMBL1340373- EC Number
- 157-532-2
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 682
Experimental & physicochemical properties
Solubility48.2 [ug/mL] (The mean of the results at pH 7.4)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Compound notes
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