N-[4-(2,4-difluorophenoxy)-3-(4-oxoquinolin-1-yl)phenyl]ethanesulfonamide

C23H18F2N2O4S — CID 146525100

IUPACN-[4-(2,4-difluorophenoxy)-3-(4-oxoquinolin-1-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-n2ccc(=O)c3ccccc32)c1
InChIInChI=1S/C23H18F2N2O4S/c1-2-32(29,30)26-16-8-10-23(31-22-9-7-15(24)13-18(22)25)20(14-16)27-12-11-21(28)17-5-3-4-6-19(17)27/h3-14,26H,2H2,1H3
InChIKeyCZBNVRRDCBLVJV-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.82
Rot. Bonds6

About N-[4-(2,4-difluorophenoxy)-3-(4-oxoquinolin-1-yl)phenyl]ethanesulfonamide

N-[4-(2,4-difluorophenoxy)-3-(4-oxoquinolin-1-yl)phenyl]ethanesulfonamide (PubChem CID 146525100) has the molecular formula C23H18F2N2O4S and a molecular weight of 456.47 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(4-oxoquinolin-1-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(4-oxoquinolin-1-yl)phenyl]ethanesulfonamide
PubChem CID146525100
Molecular FormulaC23H18F2N2O4S
Molecular Weight456.47 g/mol
Exact Mass456.10
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(4-oxoquinolin-1-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-n2ccc(=O)c3ccccc32)c1
InChIInChI=1S/C23H18F2N2O4S/c1-2-32(29,30)26-16-8-10-23(31-22-9-7-15(24)13-18(22)25)20(14-16)27-12-11-21(28)17-5-3-4-6-19(17)27/h3-14,26H,2H2,1H3
InChIKeyCZBNVRRDCBLVJV-UHFFFAOYSA-N
XLogP4.82
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(3-methyl-4-oxoquinolin-1-yl)phenyl]ethanesulfonamide
CID 146525058
N-[4-(2,4-difluorophenoxy)-3-(7-fluoro-2-methyl-1-oxoisoquinolin-4-yl)phenyl]ethanesulfonamide
CID 118027928
N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxo-[1,3]oxazolo[5,4-c]pyridin-7-yl)phenyl]ethanesulfonamide
CID 118028184
N-[4-(2,4-difluorophenoxy)-3-(4-fluoro-2-methyl-6-oxo-1H-pyridin-3-yl)phenyl]ethanesulfonamide
CID 118025004
N-[4-(2,4-difluorophenoxy)-3-(5-ethynyl-2-methyl-6-oxo-1H-pyridin-3-yl)phenyl]ethanesulfonamide
CID 118024917
N-[4-(2,4-difluorophenoxy)-3-[4-(furan-2-yl)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
CID 72551225
N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxo-2-propan-2-yloxypyrazolo[4,3-c]pyridin-7-yl)phenyl]ethanesulfonamide
CID 134512215
7-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid
CID 155457492
N-[3-[4-amino-1-methyl-5-(methyldiazenyl)-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide
CID 137277717
N-[4-(2,4-difluorophenoxy)-3-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide
CID 134516421
N-[4-(2,4-difluorophenoxy)-3-(2-methyl-1-oxidopyridin-1-ium-4-yl)phenyl]ethanesulfonamide
CID 175720317
N-[3-[5-amino-4-(ethyliminomethyl)-1-methyl-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide
CID 134512499

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-oxoquinolin-1-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-oxoquinolin-1-yl)phenyl]ethanesulfonamide (CID 146525100) is N-[4-(2,4-difluorophenoxy)-3-(4-oxoquinolin-1-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(4-oxoquinolin-1-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(4-oxoquinolin-1-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-n2ccc(=O)c3ccccc32)c1.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(4-oxoquinolin-1-yl)phenyl]ethanesulfonamide?
The InChIKey is CZBNVRRDCBLVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O4S/c1-2-32(29,30)26-16-8-10-23(31-22-9-7-15(24)13-18(22)25)20(14-16)27-12-11-21(28)17-5-3-4-6-19(17)27/h3-14,26H,2H2,1H3.
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(4-oxoquinolin-1-yl)phenyl]ethanesulfonamide?
N-[4-(2,4-difluorophenoxy)-3-(4-oxoquinolin-1-yl)phenyl]ethanesulfonamide has a molecular weight of 456.47 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-(4-oxoquinolin-1-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 146525100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).