4-[3-(difluoromethyl)-1-(4-methylsulfanylphenyl)-4-phenylpyrazol-5-yl]benzenesulfonamide

C23H19F2N3O2S2 — CID 67685589

IUPAC4-[3-(difluoromethyl)-1-(4-methylsulfanylphenyl)-4-phenylpyrazol-5-yl]benzenesulfonamide
SMILESCSc1ccc(-n2nc(C(F)F)c(-c3ccccc3)c2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C23H19F2N3O2S2/c1-31-18-11-9-17(10-12-18)28-22(16-7-13-19(14-8-16)32(26,29)30)20(21(27-28)23(24)25)15-5-3-2-4-6-15/h2-14,23H,1H3,(H2,26,29,30)
InChIKeyUFIIXOBDDSBTNL-UHFFFAOYSA-N
MW471.55 g/mol
LogP5.51
Rot. Bonds6

About 4-[3-(difluoromethyl)-1-(4-methylsulfanylphenyl)-4-phenylpyrazol-5-yl]benzenesulfonamide

4-[3-(difluoromethyl)-1-(4-methylsulfanylphenyl)-4-phenylpyrazol-5-yl]benzenesulfonamide (PubChem CID 67685589) has the molecular formula C23H19F2N3O2S2 and a molecular weight of 471.55 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-1-(4-methylsulfanylphenyl)-4-phenylpyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-1-(4-methylsulfanylphenyl)-4-phenylpyrazol-5-yl]benzenesulfonamide
PubChem CID67685589
Molecular FormulaC23H19F2N3O2S2
Molecular Weight471.55 g/mol
Exact Mass471.09
IUPAC Name4-[3-(difluoromethyl)-1-(4-methylsulfanylphenyl)-4-phenylpyrazol-5-yl]benzenesulfonamide
SMILESCSc1ccc(-n2nc(C(F)F)c(-c3ccccc3)c2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C23H19F2N3O2S2/c1-31-18-11-9-17(10-12-18)28-22(16-7-13-19(14-8-16)32(26,29)30)20(21(27-28)23(24)25)15-5-3-2-4-6-15/h2-14,23H,1H3,(H2,26,29,30)
InChIKeyUFIIXOBDDSBTNL-UHFFFAOYSA-N
XLogP5.51
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.55
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(difluoromethyl)-1,4-bis[4-(difluoromethyl)phenyl]pyrazol-5-yl]benzenesulfonamide
CID 19041452
3-(difluoromethyl)-1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-4-phenylpyrazole
CID 19041418
4-[3-(difluoromethyl)-1-(4-methylthiophen-2-yl)-4-phenylpyrazol-5-yl]benzenesulfonamide
CID 67685592
1-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)-4-phenyl-3-(trifluoromethyl)pyrazole
CID 19041335
4-[4-(2,4-dichlorophenyl)-3-(difluoromethyl)-1-phenylpyrazol-5-yl]benzenesulfonamide
CID 19041342
4-[3-(difluoromethyl)-5-(4-methylsulfonylphenyl)-1-phenylpyrazol-4-yl]-N,N-dimethylaniline
CID 23194699
2-[4-bromo-5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid
CID 22315393
4-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide
CID 10734248
N-methyl-4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide
CID 67736115
4-[4-hydroxy-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10738721
4-[6-oxo-3-(4-phenylphenyl)pyridazin-1-yl]benzenesulfonamide
CID 54612981
N-[4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]acetamide
CID 19041369

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-1-(4-methylsulfanylphenyl)-4-phenylpyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(difluoromethyl)-1-(4-methylsulfanylphenyl)-4-phenylpyrazol-5-yl]benzenesulfonamide (CID 67685589) is 4-[3-(difluoromethyl)-1-(4-methylsulfanylphenyl)-4-phenylpyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(difluoromethyl)-1-(4-methylsulfanylphenyl)-4-phenylpyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(difluoromethyl)-1-(4-methylsulfanylphenyl)-4-phenylpyrazol-5-yl]benzenesulfonamide is CSc1ccc(-n2nc(C(F)F)c(-c3ccccc3)c2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[3-(difluoromethyl)-1-(4-methylsulfanylphenyl)-4-phenylpyrazol-5-yl]benzenesulfonamide?
The InChIKey is UFIIXOBDDSBTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O2S2/c1-31-18-11-9-17(10-12-18)28-22(16-7-13-19(14-8-16)32(26,29)30)20(21(27-28)23(24)25)15-5-3-2-4-6-15/h2-14,23H,1H3,(H2,26,29,30).
What are the key properties of 4-[3-(difluoromethyl)-1-(4-methylsulfanylphenyl)-4-phenylpyrazol-5-yl]benzenesulfonamide?
4-[3-(difluoromethyl)-1-(4-methylsulfanylphenyl)-4-phenylpyrazol-5-yl]benzenesulfonamide has a molecular weight of 471.55 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-1-(4-methylsulfanylphenyl)-4-phenylpyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 67685589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).