4-[3-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide

C22H15F4N3O2S — CID 118855485

IUPAC4-[3-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)cc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H15F4N3O2S/c23-17-7-3-14(4-8-17)20-13-21(15-1-5-16(6-2-15)22(24,25)26)29(28-20)18-9-11-19(12-10-18)32(27,30)31/h1-13H,(H2,27,30,31)
InChIKeyGICFZVSSVOQUAH-UHFFFAOYSA-N
MW461.44 g/mol
LogP5.01
Rot. Bonds4

About 4-[3-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide

4-[3-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide (PubChem CID 118855485) has the molecular formula C22H15F4N3O2S and a molecular weight of 461.44 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide
PubChem CID118855485
Molecular FormulaC22H15F4N3O2S
Molecular Weight461.44 g/mol
Exact Mass461.08
IUPAC Name4-[3-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)cc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H15F4N3O2S/c23-17-7-3-14(4-8-17)20-13-21(15-1-5-16(6-2-15)22(24,25)26)29(28-20)18-9-11-19(12-10-18)32(27,30)31/h1-13H,(H2,27,30,31)
InChIKeyGICFZVSSVOQUAH-UHFFFAOYSA-N
XLogP5.01
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]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

Related Compounds

Celecoxib
CID 2662
4-(5-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
CID 9865808
Mavacoxib
CID 9843089
5-(4-Fluorophenyl)-1-(4-methylsulfonylphenyl)-3-trifluoromethyl-1H-pyrazole
CID 115239
2,5-Dimethylcelecoxib
CID 11545682
4-(3-Trifluoromethyl-4H-thiochromeno[4,3-c]pyrazol-1-yl)-benzenesulfonamide
CID 15345559
SC-558
CID 1396
TPRC3 Channel Inhibitor III, Pyr10
CID 53475435
4-Desmethyl-2-methyl Celecoxib
CID 10156660
Desmethyl Celecoxib
CID 6426663
4-[3-[5-Chloro-3-methyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 122184892
4-[5-(4-Chloro-phenyl)-3-difluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9800211

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide (CID 118855485) is 4-[3-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)cc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide?
The InChIKey is GICFZVSSVOQUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4N3O2S/c23-17-7-3-14(4-8-17)20-13-21(15-1-5-16(6-2-15)22(24,25)26)29(28-20)18-9-11-19(12-10-18)32(27,30)31/h1-13H,(H2,27,30,31).
What are the key properties of 4-[3-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide?
4-[3-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide has a molecular weight of 461.44 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 118855485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).