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

C23H22F2N2O4S — CID 118021808

IUPACN-[3-(5-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(C3CC3)c(=O)n(C)c2)c1
InChIInChI=1S/C23H22F2N2O4S/c1-3-32(29,30)26-17-7-9-21(31-22-8-6-16(24)11-20(22)25)18(12-17)15-10-19(14-4-5-14)23(28)27(2)13-15/h6-14,26H,3-5H2,1-2H3
InChIKeyUYUYRWKFGFWUKO-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.76
Rot. Bonds7

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

N-[3-(5-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide (PubChem CID 118021808) has the molecular formula C23H22F2N2O4S and a molecular weight of 460.50 g/mol. Its IUPAC name is N-[3-(5-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(5-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide
PubChem CID118021808
Molecular FormulaC23H22F2N2O4S
Molecular Weight460.50 g/mol
Exact Mass460.13
IUPAC NameN-[3-(5-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(C3CC3)c(=O)n(C)c2)c1
InChIInChI=1S/C23H22F2N2O4S/c1-3-32(29,30)26-17-7-9-21(31-22-8-6-16(24)11-20(22)25)18(12-17)15-10-19(14-4-5-14)23(28)27(2)13-15/h6-14,26H,3-5H2,1-2H3
InChIKeyUYUYRWKFGFWUKO-UHFFFAOYSA-N
XLogP4.76
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(5-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide (CID 118021808) is N-[3-(5-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(5-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(5-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cc(C3CC3)c(=O)n(C)c2)c1.
What is the InChIKey of N-[3-(5-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide?
The InChIKey is UYUYRWKFGFWUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O4S/c1-3-32(29,30)26-17-7-9-21(31-22-8-6-16(24)11-20(22)25)18(12-17)15-10-19(14-4-5-14)23(28)27(2)13-15/h6-14,26H,3-5H2,1-2H3.
What are the key properties of N-[3-(5-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide?
N-[3-(5-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide has a molecular weight of 460.50 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide is sourced from PubChem (CID 118021808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).