N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-methylcyclohexa-2,4-dien-1-yl]ethanesulfonamide

C22H24F2N2O4S — CID 134311471

IUPACN-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-methylcyclohexa-2,4-dien-1-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1C=C(c2cc(C)c(=O)n(C)c2)C(Oc2ccc(F)cc2F)=CC1C
InChIInChI=1S/C22H24F2N2O4S/c1-5-31(28,29)25-19-11-17(15-8-14(3)22(27)26(4)12-15)21(9-13(19)2)30-20-7-6-16(23)10-18(20)24/h6-13,19,25H,5H2,1-4H3
InChIKeyHQJUPGKIBNZVDZ-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.28
Rot. Bonds6

About N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-methylcyclohexa-2,4-dien-1-yl]ethanesulfonamide

N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-methylcyclohexa-2,4-dien-1-yl]ethanesulfonamide (PubChem CID 134311471) has the molecular formula C22H24F2N2O4S and a molecular weight of 450.51 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-methylcyclohexa-2,4-dien-1-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-methylcyclohexa-2,4-dien-1-yl]ethanesulfonamide
PubChem CID134311471
Molecular FormulaC22H24F2N2O4S
Molecular Weight450.51 g/mol
Exact Mass450.14
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-methylcyclohexa-2,4-dien-1-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1C=C(c2cc(C)c(=O)n(C)c2)C(Oc2ccc(F)cc2F)=CC1C
InChIInChI=1S/C22H24F2N2O4S/c1-5-31(28,29)25-19-11-17(15-8-14(3)22(27)26(4)12-15)21(9-13(19)2)30-20-7-6-16(23)10-18(20)24/h6-13,19,25H,5H2,1-4H3
InChIKeyHQJUPGKIBNZVDZ-UHFFFAOYSA-N
XLogP3.28
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]-N-(oxetan-3-yl)methanesulfonamide
CID 118022113
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-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide
CID 157238786
N-[3-[4-amino-1-methyl-5-(methyldiazenyl)-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide
CID 137277717
N-[4-[1-(cyclopropylmethyl)-5-methyl-6-oxo-3-pyridinyl]-5-(2,4-difluorophenoxy)pyrimidin-2-yl]ethanesulfonamide
CID 118021861
N-[4-(2,4-difluorophenoxy)-3-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide
CID 118021474
N-[3-[5-amino-4-(ethyliminomethyl)-1-methyl-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide
CID 134512499
N-[4-(2,4-difluorophenoxy)-3-[(8R)-2,7,8-trimethyl-1-oxo-8,9-dihydro-7H-cyclohepta[c]pyridin-4-yl]phenyl]ethanesulfonamide
CID 134514550
N-[1-[(2,4-difluorophenyl)methyl]-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide
CID 122623657
5-[5-(2,4-difluorophenoxy)-2-(ethylsulfonylmethyl)pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one
CID 147093073
N-[4-(2,4-difluorophenoxy)-3-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]ethanesulfonamide
CID 134516559
5-[2-[2-(2,4-difluoroanilino)ethylsulfonyl]phenyl]-1,3-dimethylpyridin-2-one
CID 172864047

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-methylcyclohexa-2,4-dien-1-yl]ethanesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-methylcyclohexa-2,4-dien-1-yl]ethanesulfonamide (CID 134311471) is N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-methylcyclohexa-2,4-dien-1-yl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-methylcyclohexa-2,4-dien-1-yl]ethanesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-methylcyclohexa-2,4-dien-1-yl]ethanesulfonamide is CCS(=O)(=O)NC1C=C(c2cc(C)c(=O)n(C)c2)C(Oc2ccc(F)cc2F)=CC1C.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-methylcyclohexa-2,4-dien-1-yl]ethanesulfonamide?
The InChIKey is HQJUPGKIBNZVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O4S/c1-5-31(28,29)25-19-11-17(15-8-14(3)22(27)26(4)12-15)21(9-13(19)2)30-20-7-6-16(23)10-18(20)24/h6-13,19,25H,5H2,1-4H3.
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-methylcyclohexa-2,4-dien-1-yl]ethanesulfonamide?
N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-methylcyclohexa-2,4-dien-1-yl]ethanesulfonamide has a molecular weight of 450.51 g/mol, XLogP of 3.28, 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-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-methylcyclohexa-2,4-dien-1-yl]ethanesulfonamide is sourced from PubChem (CID 134311471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).