N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylacetamide

C24H19F3N4O3S — CID 53341475

IUPACN-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylacetamide
SMILESCCn1cc(-c2ccncc2)c(-c2c(F)ccc(N(C(C)=O)S(=O)(=O)c3cccc(F)c3)c2F)n1
InChIInChI=1S/C24H19F3N4O3S/c1-3-30-14-19(16-9-11-28-12-10-16)24(29-30)22-20(26)7-8-21(23(22)27)31(15(2)32)35(33,34)18-6-4-5-17(25)13-18/h4-14H,3H2,1-2H3
InChIKeyVISNQZUDZJBWAK-UHFFFAOYSA-N
MW500.50 g/mol
LogP4.79
Rot. Bonds6

About N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylacetamide

N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylacetamide (PubChem CID 53341475) has the molecular formula C24H19F3N4O3S and a molecular weight of 500.50 g/mol. Its IUPAC name is N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylacetamide
PubChem CID53341475
Molecular FormulaC24H19F3N4O3S
Molecular Weight500.50 g/mol
Exact Mass500.11
IUPAC NameN-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylacetamide
SMILESCCn1cc(-c2ccncc2)c(-c2c(F)ccc(N(C(C)=O)S(=O)(=O)c3cccc(F)c3)c2F)n1
InChIInChI=1S/C24H19F3N4O3S/c1-3-30-14-19(16-9-11-28-12-10-16)24(29-30)22-20(26)7-8-21(23(22)27)31(15(2)32)35(33,34)18-6-4-5-17(25)13-18/h4-14H,3H2,1-2H3
InChIKeyVISNQZUDZJBWAK-UHFFFAOYSA-N
XLogP4.79
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylacetamide?
The IUPAC name of N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylacetamide (CID 53341475) is N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylacetamide.
What is the SMILES notation for N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylacetamide?
The canonical SMILES for N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylacetamide is CCn1cc(-c2ccncc2)c(-c2c(F)ccc(N(C(C)=O)S(=O)(=O)c3cccc(F)c3)c2F)n1.
What is the InChIKey of N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylacetamide?
The InChIKey is VISNQZUDZJBWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3S/c1-3-30-14-19(16-9-11-28-12-10-16)24(29-30)22-20(26)7-8-21(23(22)27)31(15(2)32)35(33,34)18-6-4-5-17(25)13-18/h4-14H,3H2,1-2H3.
What are the key properties of N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylacetamide?
N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylacetamide has a molecular weight of 500.50 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(3-fluorophenyl)sulfonylacetamide is sourced from PubChem (CID 53341475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).