6-[benzenesulfonyl(methyl)amino]-8-hydroxyquinoline-4-carboxylic acid

C17H14N2O5S — CID 154167136

IUPAC6-[benzenesulfonyl(methyl)amino]-8-hydroxyquinoline-4-carboxylic acid
SMILESCN(c1cc(O)c2nccc(C(=O)O)c2c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H14N2O5S/c1-19(25(23,24)12-5-3-2-4-6-12)11-9-14-13(17(21)22)7-8-18-16(14)15(20)10-11/h2-10,20H,1H3,(H,21,22)
InChIKeyJUPVFHCFDMYITB-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.46
Rot. Bonds4

About 6-[benzenesulfonyl(methyl)amino]-8-hydroxyquinoline-4-carboxylic acid

6-[benzenesulfonyl(methyl)amino]-8-hydroxyquinoline-4-carboxylic acid (PubChem CID 154167136) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is 6-[benzenesulfonyl(methyl)amino]-8-hydroxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-[benzenesulfonyl(methyl)amino]-8-hydroxyquinoline-4-carboxylic acid
PubChem CID154167136
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Name6-[benzenesulfonyl(methyl)amino]-8-hydroxyquinoline-4-carboxylic acid
SMILESCN(c1cc(O)c2nccc(C(=O)O)c2c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H14N2O5S/c1-19(25(23,24)12-5-3-2-4-6-12)11-9-14-13(17(21)22)7-8-18-16(14)15(20)10-11/h2-10,20H,1H3,(H,21,22)
InChIKeyJUPVFHCFDMYITB-UHFFFAOYSA-N
XLogP2.46
TPSA107.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-hydroxy-6-methoxyquinoline-4-carboxylic acid
CID 174995334
4-[benzenesulfonyl(methyl)amino]benzoic acid
CID 804306
5-[benzenesulfonyl(methyl)amino]-1-methylpyrazole-4-carboxylic acid
CID 20983621
N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-pyridinyl]-N-methylbenzenesulfonamide
CID 20873908
ethyl 4-[4-[benzenesulfonyl(methyl)amino]pyridine-2-carbonyl]piperazine-1-carboxylate
CID 46258122
8-hydroxyquinoline-5-carboxylic acid;hydrobromide
CID 122236270
N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 3119066
N-methyl-N-[4-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10066599
N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide
CID 11627027
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoic acid
CID 1339367
5-methyl-2-[methyl(phenyl)sulfamoyl]benzoic acid
CID 13394534
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705

Frequently Asked Questions

What is the IUPAC name of 6-[benzenesulfonyl(methyl)amino]-8-hydroxyquinoline-4-carboxylic acid?
The IUPAC name of 6-[benzenesulfonyl(methyl)amino]-8-hydroxyquinoline-4-carboxylic acid (CID 154167136) is 6-[benzenesulfonyl(methyl)amino]-8-hydroxyquinoline-4-carboxylic acid.
What is the SMILES notation for 6-[benzenesulfonyl(methyl)amino]-8-hydroxyquinoline-4-carboxylic acid?
The canonical SMILES for 6-[benzenesulfonyl(methyl)amino]-8-hydroxyquinoline-4-carboxylic acid is CN(c1cc(O)c2nccc(C(=O)O)c2c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 6-[benzenesulfonyl(methyl)amino]-8-hydroxyquinoline-4-carboxylic acid?
The InChIKey is JUPVFHCFDMYITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c1-19(25(23,24)12-5-3-2-4-6-12)11-9-14-13(17(21)22)7-8-18-16(14)15(20)10-11/h2-10,20H,1H3,(H,21,22).
What are the key properties of 6-[benzenesulfonyl(methyl)amino]-8-hydroxyquinoline-4-carboxylic acid?
6-[benzenesulfonyl(methyl)amino]-8-hydroxyquinoline-4-carboxylic acid has a molecular weight of 358.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzenesulfonyl(methyl)amino]-8-hydroxyquinoline-4-carboxylic acid is sourced from PubChem (CID 154167136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).