4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-N-(2-phenylethyl)benzenesulfonamide

C25H23FN2O5S — CID 11271621

IUPAC4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1cc2nccc(Oc3ccc(S(=O)(=O)NCCc4ccccc4)cc3F)c2cc1OC
InChIInChI=1S/C25H23FN2O5S/c1-31-24-15-19-21(16-25(24)32-2)27-12-11-22(19)33-23-9-8-18(14-20(23)26)34(29,30)28-13-10-17-6-4-3-5-7-17/h3-9,11-12,14-16,28H,10,13H2,1-2H3
InChIKeyINHSKSLKIOVZAH-UHFFFAOYSA-N
MW482.53 g/mol
LogP4.70
Rot. Bonds9

About 4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-N-(2-phenylethyl)benzenesulfonamide

4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 11271621) has the molecular formula C25H23FN2O5S and a molecular weight of 482.53 g/mol. Its IUPAC name is 4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
PubChem CID11271621
Molecular FormulaC25H23FN2O5S
Molecular Weight482.53 g/mol
Exact Mass482.13
IUPAC Name4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1cc2nccc(Oc3ccc(S(=O)(=O)NCCc4ccccc4)cc3F)c2cc1OC
InChIInChI=1S/C25H23FN2O5S/c1-31-24-15-19-21(16-25(24)32-2)27-12-11-22(19)33-23-9-8-18(14-20(23)26)34(29,30)28-13-10-17-6-4-3-5-7-17/h3-9,11-12,14-16,28H,10,13H2,1-2H3
InChIKeyINHSKSLKIOVZAH-UHFFFAOYSA-N
XLogP4.70
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-N-(2-phenylethyl)benzenesulfonamide with MolForge

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Related Compounds

4-(2-fluoro-4-nitrosophenoxy)-7-methoxy-6-phenylmethoxyquinoline
CID 89208447
N'-benzylsulfonyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-phenylethanimidamide
CID 162674405
azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline
CID 67265211
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509
1-benzyl-1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]imidazolidin-1-ium-2-one
CID 87237886
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 11397684
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 16890439
4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline
CID 67457884
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-methylcarbamothioyl]-2-phenylacetamide
CID 11443521
N-[2-(4-chlorophenyl)ethyl]-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]oxamide;oxamide
CID 69052259
6-(6,7-dimethoxyquinolin-4-yl)oxy-5-(fluoromethyl)-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 91102546
4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 82844764

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-N-(2-phenylethyl)benzenesulfonamide (CID 11271621) is 4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-N-(2-phenylethyl)benzenesulfonamide is COc1cc2nccc(Oc3ccc(S(=O)(=O)NCCc4ccccc4)cc3F)c2cc1OC.
What is the InChIKey of 4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is INHSKSLKIOVZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O5S/c1-31-24-15-19-21(16-25(24)32-2)27-12-11-22(19)33-23-9-8-18(14-20(23)26)34(29,30)28-13-10-17-6-4-3-5-7-17/h3-9,11-12,14-16,28H,10,13H2,1-2H3.
What are the key properties of 4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-N-(2-phenylethyl)benzenesulfonamide?
4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 482.53 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 11271621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).