4-[4-(4-fluorophenyl)-1-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

C23H18F4N4O2S — CID 19355314

IUPAC4-[4-(4-fluorophenyl)-1-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nn(CCc3ccccn3)c(C(F)(F)F)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18F4N4O2S/c24-17-8-4-15(5-9-17)20-21(16-6-10-19(11-7-16)34(28,32)33)30-31(22(20)23(25,26)27)14-12-18-3-1-2-13-29-18/h1-11,13H,12,14H2,(H2,28,32,33)
InChIKeyNGHLIAHQXMUDNM-UHFFFAOYSA-N
MW490.48 g/mol
LogP4.66
Rot. Bonds6

About 4-[4-(4-fluorophenyl)-1-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

4-[4-(4-fluorophenyl)-1-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 19355314) has the molecular formula C23H18F4N4O2S and a molecular weight of 490.48 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-1-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-1-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID19355314
Molecular FormulaC23H18F4N4O2S
Molecular Weight490.48 g/mol
Exact Mass490.11
IUPAC Name4-[4-(4-fluorophenyl)-1-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nn(CCc3ccccn3)c(C(F)(F)F)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18F4N4O2S/c24-17-8-4-15(5-9-17)20-21(16-6-10-19(11-7-16)34(28,32)33)30-31(22(20)23(25,26)27)14-12-18-3-1-2-13-29-18/h1-11,13H,12,14H2,(H2,28,32,33)
InChIKeyNGHLIAHQXMUDNM-UHFFFAOYSA-N
XLogP4.66
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-1-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-fluorophenyl)-1-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide (CID 19355314) is 4-[4-(4-fluorophenyl)-1-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-1-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-fluorophenyl)-1-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nn(CCc3ccccn3)c(C(F)(F)F)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-1-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is NGHLIAHQXMUDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4O2S/c24-17-8-4-15(5-9-17)20-21(16-6-10-19(11-7-16)34(28,32)33)30-31(22(20)23(25,26)27)14-12-18-3-1-2-13-29-18/h1-11,13H,12,14H2,(H2,28,32,33).
What are the key properties of 4-[4-(4-fluorophenyl)-1-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
4-[4-(4-fluorophenyl)-1-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 490.48 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-1-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 19355314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).