4-fluoro-N-(8-hydroxyquinolin-2-yl)benzenesulfonamide

C15H11FN2O3S — CID 50941472

IUPAC4-fluoro-N-(8-hydroxyquinolin-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2cccc(O)c2n1)c1ccc(F)cc1
InChIInChI=1S/C15H11FN2O3S/c16-11-5-7-12(8-6-11)22(20,21)18-14-9-4-10-2-1-3-13(19)15(10)17-14/h1-9,19H,(H,17,18)
InChIKeyPOMKHPVOXSGHHG-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.88
Rot. Bonds3

About 4-fluoro-N-(8-hydroxyquinolin-2-yl)benzenesulfonamide

4-fluoro-N-(8-hydroxyquinolin-2-yl)benzenesulfonamide (PubChem CID 50941472) has the molecular formula C15H11FN2O3S and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-fluoro-N-(8-hydroxyquinolin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(8-hydroxyquinolin-2-yl)benzenesulfonamide
PubChem CID50941472
Molecular FormulaC15H11FN2O3S
Molecular Weight318.33 g/mol
Exact Mass318.05
IUPAC Name4-fluoro-N-(8-hydroxyquinolin-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2cccc(O)c2n1)c1ccc(F)cc1
InChIInChI=1S/C15H11FN2O3S/c16-11-5-7-12(8-6-11)22(20,21)18-14-9-4-10-2-1-3-13(19)15(10)17-14/h1-9,19H,(H,17,18)
InChIKeyPOMKHPVOXSGHHG-UHFFFAOYSA-N
XLogP2.88
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-hydroxyquinolin-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 59191064
N-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 82343421
4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113047314
4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821539
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
N-(8-hydroxyquinolin-3-yl)-4-methylbenzenesulfonamide
CID 22674101
4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821544
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 113046610
2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 29285613
4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide
CID 14127632
N-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 104821684

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(8-hydroxyquinolin-2-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(8-hydroxyquinolin-2-yl)benzenesulfonamide (CID 50941472) is 4-fluoro-N-(8-hydroxyquinolin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(8-hydroxyquinolin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(8-hydroxyquinolin-2-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2cccc(O)c2n1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(8-hydroxyquinolin-2-yl)benzenesulfonamide?
The InChIKey is POMKHPVOXSGHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3S/c16-11-5-7-12(8-6-11)22(20,21)18-14-9-4-10-2-1-3-13(19)15(10)17-14/h1-9,19H,(H,17,18).
What are the key properties of 4-fluoro-N-(8-hydroxyquinolin-2-yl)benzenesulfonamide?
4-fluoro-N-(8-hydroxyquinolin-2-yl)benzenesulfonamide has a molecular weight of 318.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(8-hydroxyquinolin-2-yl)benzenesulfonamide is sourced from PubChem (CID 50941472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).