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

C24H19F3N4O3S — CID 53341562

IUPACN-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(2-fluorophenyl)sulfonylacetamide
SMILESCCn1cc(-c2ccncc2)c(-c2c(F)ccc(N(C(C)=O)S(=O)(=O)c3ccccc3F)c2F)n1
InChIInChI=1S/C24H19F3N4O3S/c1-3-30-14-17(16-10-12-28-13-11-16)24(29-30)22-19(26)8-9-20(23(22)27)31(15(2)32)35(33,34)21-7-5-4-6-18(21)25/h4-14H,3H2,1-2H3
InChIKeyYCSNIRKVLCJFGV-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-(2-fluorophenyl)sulfonylacetamide

N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(2-fluorophenyl)sulfonylacetamide (PubChem CID 53341562) 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-(2-fluorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(2-fluorophenyl)sulfonylacetamide
PubChem CID53341562
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-(2-fluorophenyl)sulfonylacetamide
SMILESCCn1cc(-c2ccncc2)c(-c2c(F)ccc(N(C(C)=O)S(=O)(=O)c3ccccc3F)c2F)n1
InChIInChI=1S/C24H19F3N4O3S/c1-3-30-14-17(16-10-12-28-13-11-16)24(29-30)22-19(26)8-9-20(23(22)27)31(15(2)32)35(33,34)21-7-5-4-6-18(21)25/h4-14H,3H2,1-2H3
InChIKeyYCSNIRKVLCJFGV-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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Related Compounds

6-[(6-Tert-butyl-3-pyridinyl)sulfonyl]-1-(4-fluorophenyl)-4a-[(4-fluorophenyl)methyl]-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 11497883
1-[(4aS)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-N,N-dimethylmethanamine
CID 11525591
1-[(4aS)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-N,N-dimethylmethanamine
CID 11533163
1-(4-Fluorophenyl)-4a-[(4-fluorophenyl)methyl]-6-(4-fluorophenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454503
(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454504
1-(4-Fluorophenyl)-4a-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454535
(4aS)-1-(4-fluorophenyl)-4a-methyl-6-(4-methylphenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454537
6-(Benzenesulfonyl)-1-(4-fluorophenyl)-4a-[(4-fluorophenyl)methyl]-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454540
N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]methyl]-N-ethylethanamine
CID 44454565
1-[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-N,N-dimethylmethanamine
CID 44454566
(4aS)-1-(4-fluorophenyl)-4a-methyl-6-(2-methylphenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454567
(4aS)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454938

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(2-fluorophenyl)sulfonylacetamide?
The IUPAC name of N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(2-fluorophenyl)sulfonylacetamide (CID 53341562) is N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(2-fluorophenyl)sulfonylacetamide.
What is the SMILES notation for N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(2-fluorophenyl)sulfonylacetamide?
The canonical SMILES for N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(2-fluorophenyl)sulfonylacetamide is CCn1cc(-c2ccncc2)c(-c2c(F)ccc(N(C(C)=O)S(=O)(=O)c3ccccc3F)c2F)n1.
What is the InChIKey of N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(2-fluorophenyl)sulfonylacetamide?
The InChIKey is YCSNIRKVLCJFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3S/c1-3-30-14-17(16-10-12-28-13-11-16)24(29-30)22-19(26)8-9-20(23(22)27)31(15(2)32)35(33,34)21-7-5-4-6-18(21)25/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-(2-fluorophenyl)sulfonylacetamide?
N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-N-(2-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-(2-fluorophenyl)sulfonylacetamide is sourced from PubChem (CID 53341562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).