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

C23H18F4N4O2S — CID 18920376

IUPAC4-[5-(4-fluorophenyl)-4-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(CCc3ccccn3)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18F4N4O2S/c24-16-6-4-15(5-7-16)21-20(13-8-17-3-1-2-14-29-17)22(23(25,26)27)30-31(21)18-9-11-19(12-10-18)34(28,32)33/h1-7,9-12,14H,8,13H2,(H2,28,32,33)
InChIKeyDULGIXFKPNUEEE-UHFFFAOYSA-N
MW490.48 g/mol
LogP4.52
Rot. Bonds6

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

4-[5-(4-fluorophenyl)-4-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 18920376) has the molecular formula C23H18F4N4O2S and a molecular weight of 490.48 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-4-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-4-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID18920376
Molecular FormulaC23H18F4N4O2S
Molecular Weight490.48 g/mol
Exact Mass490.11
IUPAC Name4-[5-(4-fluorophenyl)-4-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(CCc3ccccn3)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18F4N4O2S/c24-16-6-4-15(5-7-16)21-20(13-8-17-3-1-2-14-29-17)22(23(25,26)27)30-31(21)18-9-11-19(12-10-18)34(28,32)33/h1-7,9-12,14H,8,13H2,(H2,28,32,33)
InChIKeyDULGIXFKPNUEEE-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-4-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-fluorophenyl)-4-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 18920376) is 4-[5-(4-fluorophenyl)-4-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-4-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)-4-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(CCc3ccccn3)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-4-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is DULGIXFKPNUEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4O2S/c24-16-6-4-15(5-7-16)21-20(13-8-17-3-1-2-14-29-17)22(23(25,26)27)30-31(21)18-9-11-19(12-10-18)34(28,32)33/h1-7,9-12,14H,8,13H2,(H2,28,32,33).
What are the key properties of 4-[5-(4-fluorophenyl)-4-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(4-fluorophenyl)-4-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 490.48 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-4-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 18920376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).