N-[4-(2,4-difluorophenoxy)-5-(2,6-dimethyl-4-pyridinyl)-2-pyrazol-1-ylphenyl]ethanesulfonamide

C24H22F2N4O3S — CID 163214168

IUPACN-[4-(2,4-difluorophenoxy)-5-(2,6-dimethyl-4-pyridinyl)-2-pyrazol-1-ylphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cc(C)nc(C)c2)c(Oc2ccc(F)cc2F)cc1-n1cccn1
InChIInChI=1S/C24H22F2N4O3S/c1-4-34(31,32)29-21-13-19(17-10-15(2)28-16(3)11-17)24(14-22(21)30-9-5-8-27-30)33-23-7-6-18(25)12-20(23)26/h5-14,29H,4H2,1-3H3
InChIKeyFQOPWDSMHDJXEN-UHFFFAOYSA-N
MW484.53 g/mol
LogP5.38
Rot. Bonds7

About N-[4-(2,4-difluorophenoxy)-5-(2,6-dimethyl-4-pyridinyl)-2-pyrazol-1-ylphenyl]ethanesulfonamide

N-[4-(2,4-difluorophenoxy)-5-(2,6-dimethyl-4-pyridinyl)-2-pyrazol-1-ylphenyl]ethanesulfonamide (PubChem CID 163214168) has the molecular formula C24H22F2N4O3S and a molecular weight of 484.53 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-5-(2,6-dimethyl-4-pyridinyl)-2-pyrazol-1-ylphenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-5-(2,6-dimethyl-4-pyridinyl)-2-pyrazol-1-ylphenyl]ethanesulfonamide
PubChem CID163214168
Molecular FormulaC24H22F2N4O3S
Molecular Weight484.53 g/mol
Exact Mass484.14
IUPAC NameN-[4-(2,4-difluorophenoxy)-5-(2,6-dimethyl-4-pyridinyl)-2-pyrazol-1-ylphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cc(C)nc(C)c2)c(Oc2ccc(F)cc2F)cc1-n1cccn1
InChIInChI=1S/C24H22F2N4O3S/c1-4-34(31,32)29-21-13-19(17-10-15(2)28-16(3)11-17)24(14-22(21)30-9-5-8-27-30)33-23-7-6-18(25)12-20(23)26/h5-14,29H,4H2,1-3H3
InChIKeyFQOPWDSMHDJXEN-UHFFFAOYSA-N
XLogP5.38
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.53
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-5-(2,6-dimethyl-4-pyridinyl)-2-pyrazol-1-ylphenyl]ethanesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-5-(2,6-dimethyl-4-pyridinyl)-2-pyrazol-1-ylphenyl]ethanesulfonamide (CID 163214168) is N-[4-(2,4-difluorophenoxy)-5-(2,6-dimethyl-4-pyridinyl)-2-pyrazol-1-ylphenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-5-(2,6-dimethyl-4-pyridinyl)-2-pyrazol-1-ylphenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-5-(2,6-dimethyl-4-pyridinyl)-2-pyrazol-1-ylphenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2cc(C)nc(C)c2)c(Oc2ccc(F)cc2F)cc1-n1cccn1.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-5-(2,6-dimethyl-4-pyridinyl)-2-pyrazol-1-ylphenyl]ethanesulfonamide?
The InChIKey is FQOPWDSMHDJXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O3S/c1-4-34(31,32)29-21-13-19(17-10-15(2)28-16(3)11-17)24(14-22(21)30-9-5-8-27-30)33-23-7-6-18(25)12-20(23)26/h5-14,29H,4H2,1-3H3.
What are the key properties of N-[4-(2,4-difluorophenoxy)-5-(2,6-dimethyl-4-pyridinyl)-2-pyrazol-1-ylphenyl]ethanesulfonamide?
N-[4-(2,4-difluorophenoxy)-5-(2,6-dimethyl-4-pyridinyl)-2-pyrazol-1-ylphenyl]ethanesulfonamide has a molecular weight of 484.53 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-5-(2,6-dimethyl-4-pyridinyl)-2-pyrazol-1-ylphenyl]ethanesulfonamide is sourced from PubChem (CID 163214168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).