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

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Related Compounds

3-(4-methylphenyl)-1-(4-methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole
CID 118855476
4-(3,5-diphenylpyrazol-1-yl)benzenesulfonamide
CID 3878623
4-[1-(4-fluorophenyl)-4-(trifluoromethyl)pyrrol-2-yl]benzenesulfonamide
CID 21221509
5-(4-chlorophenyl)-3-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole
CID 54568096
4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315448
4-[5-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10201726
sodium;hydride;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;hydrate
CID 173010956
4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-pyridin-4-ylpyridine
CID 139199315
4-[5-[4-(2-iodo-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 70099025
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147
4-[5-(4-hydroxy-3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 135848006
bis(4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide);bis(4-(2-pyridin-4-ylethyl)pyridine)
CID 139199317

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).