[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]methanesulfonamide

C18H16F2N2O5S — CID 157237576

IUPAC[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]methanesulfonamide
SMILESCOc1cc2nccc(Oc3c(F)cc(CS(N)(=O)=O)cc3F)c2cc1OC
InChIInChI=1S/C18H16F2N2O5S/c1-25-16-7-11-14(8-17(16)26-2)22-4-3-15(11)27-18-12(19)5-10(6-13(18)20)9-28(21,23)24/h3-8H,9H2,1-2H3,(H2,21,23,24)
InChIKeyAUUXPMLOLCSBCC-UHFFFAOYSA-N
MW410.40 g/mol
LogP3.11
Rot. Bonds6

About [4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]methanesulfonamide

[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]methanesulfonamide (PubChem CID 157237576) has the molecular formula C18H16F2N2O5S and a molecular weight of 410.40 g/mol. Its IUPAC name is [4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]methanesulfonamide
PubChem CID157237576
Molecular FormulaC18H16F2N2O5S
Molecular Weight410.40 g/mol
Exact Mass410.07
IUPAC Name[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]methanesulfonamide
SMILESCOc1cc2nccc(Oc3c(F)cc(CS(N)(=O)=O)cc3F)c2cc1OC
InChIInChI=1S/C18H16F2N2O5S/c1-25-16-7-11-14(8-17(16)26-2)22-4-3-15(11)27-18-12(19)5-10(6-13(18)20)9-28(21,23)24/h3-8H,9H2,1-2H3,(H2,21,23,24)
InChIKeyAUUXPMLOLCSBCC-UHFFFAOYSA-N
XLogP3.11
TPSA100.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methane;4,6,7-trimethoxyquinoline
CID 157066291
2-[3,5-difluoro-4-[6-(2-hydroxyethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide
CID 175908320
2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide
CID 175908319
azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline
CID 67265211
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 11271621
N'-benzylsulfonyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-phenylethanimidamide
CID 162674405
4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline
CID 67457884
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-[(4-methylphenyl)methylsulfonyl]urea
CID 155539894
4-(2-fluoro-4-nitrosophenoxy)-7-methoxy-6-phenylmethoxyquinoline
CID 89208447
ethyl 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2-oxoacetate
CID 155671429

Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]methanesulfonamide?
The IUPAC name of [4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]methanesulfonamide (CID 157237576) is [4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]methanesulfonamide.
What is the SMILES notation for [4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]methanesulfonamide?
The canonical SMILES for [4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]methanesulfonamide is COc1cc2nccc(Oc3c(F)cc(CS(N)(=O)=O)cc3F)c2cc1OC.
What is the InChIKey of [4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]methanesulfonamide?
The InChIKey is AUUXPMLOLCSBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O5S/c1-25-16-7-11-14(8-17(16)26-2)22-4-3-15(11)27-18-12(19)5-10(6-13(18)20)9-28(21,23)24/h3-8H,9H2,1-2H3,(H2,21,23,24).
What are the key properties of [4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]methanesulfonamide?
[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]methanesulfonamide has a molecular weight of 410.40 g/mol, XLogP of 3.11, 6 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-3,5-difluorophenyl]methanesulfonamide is sourced from PubChem (CID 157237576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).