N-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide

C22H20F2N2O4S — CID 157238786

IUPACN-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(CC)c(=O)n(C)c2)c1
InChIInChI=1S/C22H20F2N2O4S/c1-4-14-10-15(13-26(3)22(14)27)18-12-17(25-31(28,29)5-2)7-9-20(18)30-21-8-6-16(23)11-19(21)24/h5-13,25H,2,4H2,1,3H3
InChIKeyVJJBSQDOXKANFV-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.57
Rot. Bonds7

About N-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide

N-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide (PubChem CID 157238786) has the molecular formula C22H20F2N2O4S and a molecular weight of 446.48 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide
PubChem CID157238786
Molecular FormulaC22H20F2N2O4S
Molecular Weight446.48 g/mol
Exact Mass446.11
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(CC)c(=O)n(C)c2)c1
InChIInChI=1S/C22H20F2N2O4S/c1-4-14-10-15(13-26(3)22(14)27)18-12-17(25-31(28,29)5-2)7-9-20(18)30-21-8-6-16(23)11-19(21)24/h5-13,25H,2,4H2,1,3H3
InChIKeyVJJBSQDOXKANFV-UHFFFAOYSA-N
XLogP4.57
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethenesulfonamide
CID 160859383
N-[4-(2-fluoro-4-methylphenoxy)-3-[1-methyl-6-oxo-5-(2-oxopropyl)-3-pyridinyl]phenyl]ethenesulfonamide
CID 163760302
N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4,6-trimethylphenoxy)phenyl]ethenesulfonamide
CID 163782057
N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(3-methylphenoxy)phenyl]ethenesulfonamide
CID 162120668
N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(3-ethylphenoxy)phenyl]ethenesulfonamide
CID 163760303
N-[4-(2,4-difluorophenoxy)-3-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide
CID 118021474
N-[3-(7-cyano-2-methyl-1-oxoisoquinolin-4-yl)-4-(2,4-difluorophenoxy)phenyl]ethenesulfonamide
CID 146575843
N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluoro-4-methylcyclohexyl)oxyphenyl]ethenesulfonamide
CID 163760305
N-[3-(7-cyclopropyl-2-methyl-1-oxoisoquinolin-4-yl)-4-(2,4-difluorophenoxy)phenyl]ethenesulfonamide
CID 146575430
1-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]pyrrole-2,5-dione
CID 158518306
N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]ethenesulfonamide
CID 146575542
N-[4-(2,4-difluorophenoxy)-3-(7-fluoro-2-methyl-1-oxoisoquinolin-4-yl)phenyl]ethanesulfonamide
CID 118027928

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide (CID 157238786) is N-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide is C=CS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(CC)c(=O)n(C)c2)c1.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide?
The InChIKey is VJJBSQDOXKANFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O4S/c1-4-14-10-15(13-26(3)22(14)27)18-12-17(25-31(28,29)5-2)7-9-20(18)30-21-8-6-16(23)11-19(21)24/h5-13,25H,2,4H2,1,3H3.
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide?
N-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide has a molecular weight of 446.48 g/mol, XLogP of 4.57, 7 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-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide is sourced from PubChem (CID 157238786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).