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

C21H20F2N2O4S — CID 118021665

IUPACN-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(C)c(=O)n(C)c2)c1
InChIInChI=1S/C21H20F2N2O4S/c1-4-30(27,28)24-16-6-8-19(29-20-7-5-15(22)10-18(20)23)17(11-16)14-9-13(2)21(26)25(3)12-14/h5-12,24H,4H2,1-3H3
InChIKeyOBAIHAQZJYIHQU-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.19
Rot. Bonds6

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

N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide (PubChem CID 118021665) has the molecular formula C21H20F2N2O4S and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
PubChem CID118021665
Molecular FormulaC21H20F2N2O4S
Molecular Weight434.46 g/mol
Exact Mass434.11
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(C)c(=O)n(C)c2)c1
InChIInChI=1S/C21H20F2N2O4S/c1-4-30(27,28)24-16-6-8-19(29-20-7-5-15(22)10-18(20)23)17(11-16)14-9-13(2)21(26)25(3)12-14/h5-12,24H,4H2,1-3H3
InChIKeyOBAIHAQZJYIHQU-UHFFFAOYSA-N
XLogP4.19
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-Methoxy-1-Methyl-6-Oxo-1,6-Dihydropyridin-3-Yl)-4-Phenoxyphenyl]methanesulfonamide
CID 72549905
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl]ethanesulfonamide
CID 90018193
N-(10,12-difluoro-23-methyl-22-oxo-8,19-dioxa-23-azatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide
CID 118137789
N-[4-(2,4-difluorophenoxy)-3-(1-methyl-6-oxo-4-phenylmethoxy-3-pyridinyl)phenyl]ethanesulfonamide
CID 168290328
N-(3-((dimethylamino)methyl)-4-(4-(trifluoromethyl)phenoxy)phenyl)methanesulfonamide
CID 10110820
N-[4-(4-chlorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl]ethanesulfonamide
CID 72547793
N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethanesulfonamide
CID 72548029
N-[4-(2,4-difluorophenoxy)-3-[4-(ethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
CID 72548735
N-[4-(2,4-difluorophenoxy)-3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
CID 72550116
N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-methylpropoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
CID 90016835
N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-morpholin-4-ylethoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
CID 90017113
N-[4-(2,4-difluorophenoxy)-3-[1-methyl-6-oxo-4-(2,2,2-trifluoroethoxy)pyridin-3-yl]phenyl]ethanesulfonamide
CID 90017358

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide (CID 118021665) is N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(C)c(=O)n(C)c2)c1.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
The InChIKey is OBAIHAQZJYIHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O4S/c1-4-30(27,28)24-16-6-8-19(29-20-7-5-15(22)10-18(20)23)17(11-16)14-9-13(2)21(26)25(3)12-14/h5-12,24H,4H2,1-3H3.
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide has a molecular weight of 434.46 g/mol, XLogP of 4.19, 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)phenyl]ethanesulfonamide is sourced from PubChem (CID 118021665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).