N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]acetamide

C24H18F4N4O3S — CID 53341262

IUPACN-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]acetamide
SMILESCCn1cc(-c2ccncc2)c(-c2c(F)ccc(N(C(C)=O)S(=O)(=O)c3cc(F)ccc3F)c2F)n1
InChIInChI=1S/C24H18F4N4O3S/c1-3-31-13-17(15-8-10-29-11-9-15)24(30-31)22-19(27)6-7-20(23(22)28)32(14(2)33)36(34,35)21-12-16(25)4-5-18(21)26/h4-13H,3H2,1-2H3
InChIKeyXTKPJZLWRIBOIE-UHFFFAOYSA-N
MW518.49 g/mol
LogP4.93
Rot. Bonds6

About N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]acetamide

N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]acetamide (PubChem CID 53341262) has the molecular formula C24H18F4N4O3S and a molecular weight of 518.49 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]acetamide
PubChem CID53341262
Molecular FormulaC24H18F4N4O3S
Molecular Weight518.49 g/mol
Exact Mass518.10
IUPAC NameN-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]acetamide
SMILESCCn1cc(-c2ccncc2)c(-c2c(F)ccc(N(C(C)=O)S(=O)(=O)c3cc(F)ccc3F)c2F)n1
InChIInChI=1S/C24H18F4N4O3S/c1-3-31-13-17(15-8-10-29-11-9-15)24(30-31)22-19(27)6-7-20(23(22)28)32(14(2)33)36(34,35)21-12-16(25)4-5-18(21)26/h4-13H,3H2,1-2H3
InChIKeyXTKPJZLWRIBOIE-UHFFFAOYSA-N
XLogP4.93
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.49
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]acetamide (CID 53341262) is N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]acetamide is CCn1cc(-c2ccncc2)c(-c2c(F)ccc(N(C(C)=O)S(=O)(=O)c3cc(F)ccc3F)c2F)n1.
What is the InChIKey of N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]acetamide?
The InChIKey is XTKPJZLWRIBOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N4O3S/c1-3-31-13-17(15-8-10-29-11-9-15)24(30-31)22-19(27)6-7-20(23(22)28)32(14(2)33)36(34,35)21-12-16(25)4-5-18(21)26/h4-13H,3H2,1-2H3.
What are the key properties of N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]acetamide?
N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]acetamide has a molecular weight of 518.49 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]acetamide is sourced from PubChem (CID 53341262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).