N-[2-(4-ethyl-2-fluoroanilino)-3,4-difluoro-6-methoxyphenyl]cyclopropanesulfonamide

C18H19F3N2O3S — CID 123434942

IUPACN-[2-(4-ethyl-2-fluoroanilino)-3,4-difluoro-6-methoxyphenyl]cyclopropanesulfonamide
SMILESCCc1ccc(Nc2c(F)c(F)cc(OC)c2NS(=O)(=O)C2CC2)c(F)c1
InChIInChI=1S/C18H19F3N2O3S/c1-3-10-4-7-14(12(19)8-10)22-18-16(21)13(20)9-15(26-2)17(18)23-27(24,25)11-5-6-11/h4,7-9,11,22-23H,3,5-6H2,1-2H3
InChIKeyFKFUMKPLIVZOQD-UHFFFAOYSA-N
MW400.42 g/mol
LogP4.32
Rot. Bonds7

About N-[2-(4-ethyl-2-fluoroanilino)-3,4-difluoro-6-methoxyphenyl]cyclopropanesulfonamide

N-[2-(4-ethyl-2-fluoroanilino)-3,4-difluoro-6-methoxyphenyl]cyclopropanesulfonamide (PubChem CID 123434942) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is N-[2-(4-ethyl-2-fluoroanilino)-3,4-difluoro-6-methoxyphenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-2-fluoroanilino)-3,4-difluoro-6-methoxyphenyl]cyclopropanesulfonamide
PubChem CID123434942
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC NameN-[2-(4-ethyl-2-fluoroanilino)-3,4-difluoro-6-methoxyphenyl]cyclopropanesulfonamide
SMILESCCc1ccc(Nc2c(F)c(F)cc(OC)c2NS(=O)(=O)C2CC2)c(F)c1
InChIInChI=1S/C18H19F3N2O3S/c1-3-10-4-7-14(12(19)8-10)22-18-16(21)13(20)9-15(26-2)17(18)23-27(24,25)11-5-6-11/h4,7-9,11,22-23H,3,5-6H2,1-2H3
InChIKeyFKFUMKPLIVZOQD-UHFFFAOYSA-N
XLogP4.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-ethoxy-3,4-difluoro-2-(4-fluoro-2-iodoanilino)phenyl]cyclopropanesulfonamide
CID 87100810
N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide
CID 113460263
2-[1-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]sulfamoylamino]cyclopropyl]ethanol
CID 24765441
N-[3,4-difluoro-2-(2-fluoro-4-methylanilino)-6-methoxyphenyl]-1-prop-2-enylcyclopropane-1-sulfonamide
CID 118411308
3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-methoxy-1-N-[(1-methylcyclopropyl)sulfamoyl]benzene-1,2-diamine
CID 24765524
N-[1-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-2,3-dihydroxypropyl]cyclopropanesulfonamide
CID 140562670
N-[3,4-difluoro-2-(2-fluoro-4-methylanilino)-6-methoxyphenyl]-1-(3-hydroxypropyl)cyclopropane-1-sulfonamide;ethane
CID 143758036
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxy-5-methylphenyl]cyclobutanesulfonamide
CID 163679019
N-[3,4-difluoro-2-(2-fluoro-4-methylanilino)-6-methoxyphenyl]-5-hydroxy-6-nitrosohexane-3-sulfonamide;ethane
CID 143399829
N-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide
CID 59386353
N-[2-[4-(4-aminophenyl)-2-fluoroanilino]-3,4-difluorophenyl]cyclopropanesulfonamide
CID 89144911
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide;N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-prop-2-enylcyclopropane-1-sulfonamide
CID 87559481

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-2-fluoroanilino)-3,4-difluoro-6-methoxyphenyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-(4-ethyl-2-fluoroanilino)-3,4-difluoro-6-methoxyphenyl]cyclopropanesulfonamide (CID 123434942) is N-[2-(4-ethyl-2-fluoroanilino)-3,4-difluoro-6-methoxyphenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-(4-ethyl-2-fluoroanilino)-3,4-difluoro-6-methoxyphenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-(4-ethyl-2-fluoroanilino)-3,4-difluoro-6-methoxyphenyl]cyclopropanesulfonamide is CCc1ccc(Nc2c(F)c(F)cc(OC)c2NS(=O)(=O)C2CC2)c(F)c1.
What is the InChIKey of N-[2-(4-ethyl-2-fluoroanilino)-3,4-difluoro-6-methoxyphenyl]cyclopropanesulfonamide?
The InChIKey is FKFUMKPLIVZOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-3-10-4-7-14(12(19)8-10)22-18-16(21)13(20)9-15(26-2)17(18)23-27(24,25)11-5-6-11/h4,7-9,11,22-23H,3,5-6H2,1-2H3.
What are the key properties of N-[2-(4-ethyl-2-fluoroanilino)-3,4-difluoro-6-methoxyphenyl]cyclopropanesulfonamide?
N-[2-(4-ethyl-2-fluoroanilino)-3,4-difluoro-6-methoxyphenyl]cyclopropanesulfonamide has a molecular weight of 400.42 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-2-fluoroanilino)-3,4-difluoro-6-methoxyphenyl]cyclopropanesulfonamide is sourced from PubChem (CID 123434942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).