N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxofuro[3,2-c]pyridin-7-yl)phenyl]methanesulfonamide

C21H16F2N2O5S — CID 118021535

IUPACN-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxofuro[3,2-c]pyridin-7-yl)phenyl]methanesulfonamide
SMILESCn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)c2occc2c1=O
InChIInChI=1S/C21H16F2N2O5S/c1-25-11-16(20-14(21(25)26)7-8-29-20)15-10-13(24-31(2,27)28)4-6-18(15)30-19-5-3-12(22)9-17(19)23/h3-11,24H,1-2H3
InChIKeyDQEVOXNZRFWCET-UHFFFAOYSA-N
MW446.43 g/mol
LogP4.24
Rot. Bonds5

About N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxofuro[3,2-c]pyridin-7-yl)phenyl]methanesulfonamide

N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxofuro[3,2-c]pyridin-7-yl)phenyl]methanesulfonamide (PubChem CID 118021535) has the molecular formula C21H16F2N2O5S and a molecular weight of 446.43 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxofuro[3,2-c]pyridin-7-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxofuro[3,2-c]pyridin-7-yl)phenyl]methanesulfonamide
PubChem CID118021535
Molecular FormulaC21H16F2N2O5S
Molecular Weight446.43 g/mol
Exact Mass446.07
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxofuro[3,2-c]pyridin-7-yl)phenyl]methanesulfonamide
SMILESCn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)c2occc2c1=O
InChIInChI=1S/C21H16F2N2O5S/c1-25-11-16(20-14(21(25)26)7-8-29-20)15-10-13(24-31(2,27)28)4-6-18(15)30-19-5-3-12(22)9-17(19)23/h3-11,24H,1-2H3
InChIKeyDQEVOXNZRFWCET-UHFFFAOYSA-N
XLogP4.24
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxofuro[3,2-c]pyridin-7-yl)phenyl]methanesulfonamide with MolForge

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Related Compounds

Dronedarone
CID 208898
Dronedarone Hydrochloride
CID 219025
N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
CID 164607219
N-[4-(2,4-difluorophenoxy)-3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide
CID 168269610
N-[3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-4-(2,4,6-trifluorophenoxy)phenyl]ethanesulfonamide
CID 168273126
N-[4-(2,4-difluorophenoxy)-3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]cyclopropanesulfonamide
CID 168274462
N-[4-(2,4-difluorophenoxy)-3-[2-[4-(2-hydroxyethoxy)phenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
CID 168280573
N-[4-(2,4-difluorophenoxy)-3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]propane-2-sulfonamide
CID 168286308
N-[4-(2,4-difluorophenoxy)-3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
CID 168292101
N-[4-(2,4-difluorophenoxy)-3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]propane-1-sulfonamide
CID 168297831
Debutyldronedarone
CID 10255437
N-[4-(2,4-difluorophenoxy)-3-[2-[4-(3-hydroxypropyl)phenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
CID 168269705

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxofuro[3,2-c]pyridin-7-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxofuro[3,2-c]pyridin-7-yl)phenyl]methanesulfonamide (CID 118021535) is N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxofuro[3,2-c]pyridin-7-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxofuro[3,2-c]pyridin-7-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxofuro[3,2-c]pyridin-7-yl)phenyl]methanesulfonamide is Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)c2occc2c1=O.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxofuro[3,2-c]pyridin-7-yl)phenyl]methanesulfonamide?
The InChIKey is DQEVOXNZRFWCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O5S/c1-25-11-16(20-14(21(25)26)7-8-29-20)15-10-13(24-31(2,27)28)4-6-18(15)30-19-5-3-12(22)9-17(19)23/h3-11,24H,1-2H3.
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxofuro[3,2-c]pyridin-7-yl)phenyl]methanesulfonamide?
N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxofuro[3,2-c]pyridin-7-yl)phenyl]methanesulfonamide has a molecular weight of 446.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxofuro[3,2-c]pyridin-7-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 118021535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).