4-[5-(2-methyl-5-pyridin-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C22H17F3N4O2S — CID 78325004

IUPAC4-[5-(2-methyl-5-pyridin-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2ccccn2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H17F3N4O2S/c1-14-5-6-15(19-4-2-3-11-27-19)12-18(14)20-13-21(22(23,24)25)28-29(20)16-7-9-17(10-8-16)32(26,30)31/h2-13H,1H3,(H2,26,30,31)
InChIKeyNUVRKFHLDHLVMS-UHFFFAOYSA-N
MW458.47 g/mol
LogP4.58
Rot. Bonds4

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

4-[5-(2-methyl-5-pyridin-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 78325004) has the molecular formula C22H17F3N4O2S and a molecular weight of 458.47 g/mol. Its IUPAC name is 4-[5-(2-methyl-5-pyridin-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(2-methyl-5-pyridin-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID78325004
Molecular FormulaC22H17F3N4O2S
Molecular Weight458.47 g/mol
Exact Mass458.10
IUPAC Name4-[5-(2-methyl-5-pyridin-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2ccccn2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H17F3N4O2S/c1-14-5-6-15(19-4-2-3-11-27-19)12-18(14)20-13-21(22(23,24)25)28-29(20)16-7-9-17(10-8-16)32(26,30)31/h2-13H,1H3,(H2,26,30,31)
InChIKeyNUVRKFHLDHLVMS-UHFFFAOYSA-N
XLogP4.58
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(2-methyl-5-pyridin-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide 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 4-[5-(2-methyl-5-pyridin-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(2-methyl-5-pyridin-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 78325004) is 4-[5-(2-methyl-5-pyridin-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(2-methyl-5-pyridin-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(2-methyl-5-pyridin-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is Cc1ccc(-c2ccccn2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[5-(2-methyl-5-pyridin-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is NUVRKFHLDHLVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2S/c1-14-5-6-15(19-4-2-3-11-27-19)12-18(14)20-13-21(22(23,24)25)28-29(20)16-7-9-17(10-8-16)32(26,30)31/h2-13H,1H3,(H2,26,30,31).
What are the key properties of 4-[5-(2-methyl-5-pyridin-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(2-methyl-5-pyridin-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 458.47 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methyl-5-pyridin-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 78325004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).