N-(8-hydroxyquinolin-2-yl)-3,4-dimethoxybenzenesulfonamide

C17H16N2O5S — CID 59191064

IUPACN-(8-hydroxyquinolin-2-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3cccc(O)c3n2)cc1OC
InChIInChI=1S/C17H16N2O5S/c1-23-14-8-7-12(10-15(14)24-2)25(21,22)19-16-9-6-11-4-3-5-13(20)17(11)18-16/h3-10,20H,1-2H3,(H,18,19)
InChIKeyOVKHHEDUOKKYAB-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.76
Rot. Bonds5

About N-(8-hydroxyquinolin-2-yl)-3,4-dimethoxybenzenesulfonamide

N-(8-hydroxyquinolin-2-yl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 59191064) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is N-(8-hydroxyquinolin-2-yl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(8-hydroxyquinolin-2-yl)-3,4-dimethoxybenzenesulfonamide
PubChem CID59191064
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC NameN-(8-hydroxyquinolin-2-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3cccc(O)c3n2)cc1OC
InChIInChI=1S/C17H16N2O5S/c1-23-14-8-7-12(10-15(14)24-2)25(21,22)19-16-9-6-11-4-3-5-13(20)17(11)18-16/h3-10,20H,1-2H3,(H,18,19)
InChIKeyOVKHHEDUOKKYAB-UHFFFAOYSA-N
XLogP2.76
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-(8-hydroxyquinolin-2-yl)benzenesulfonamide
CID 50941472
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
2-methoxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzamide
CID 146024539
4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide
CID 71671387
3,4-dimethoxy-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 24995120
3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 45478490
N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
CID 113031264
N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
CID 3256250
N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 25331173
3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 116812631
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443
N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17217527

Frequently Asked Questions

What is the IUPAC name of N-(8-hydroxyquinolin-2-yl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(8-hydroxyquinolin-2-yl)-3,4-dimethoxybenzenesulfonamide (CID 59191064) is N-(8-hydroxyquinolin-2-yl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(8-hydroxyquinolin-2-yl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(8-hydroxyquinolin-2-yl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3cccc(O)c3n2)cc1OC.
What is the InChIKey of N-(8-hydroxyquinolin-2-yl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is OVKHHEDUOKKYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-23-14-8-7-12(10-15(14)24-2)25(21,22)19-16-9-6-11-4-3-5-13(20)17(11)18-16/h3-10,20H,1-2H3,(H,18,19).
What are the key properties of N-(8-hydroxyquinolin-2-yl)-3,4-dimethoxybenzenesulfonamide?
N-(8-hydroxyquinolin-2-yl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 360.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-hydroxyquinolin-2-yl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 59191064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).