4-[5-fluoro-4-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C17H13F4N3O2S — CID 169097295

IUPAC4-[5-fluoro-4-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2c(C(F)(F)F)nn(-c3ccc(S(N)(=O)=O)cc3)c2F)cc1
InChIInChI=1S/C17H13F4N3O2S/c1-10-2-4-11(5-3-10)14-15(17(19,20)21)23-24(16(14)18)12-6-8-13(9-7-12)27(22,25)26/h2-9H,1H3,(H2,22,25,26)
InChIKeyPLSCGQSLZUBESG-UHFFFAOYSA-N
MW399.37 g/mol
LogP3.65
Rot. Bonds3

About 4-[5-fluoro-4-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-fluoro-4-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 169097295) has the molecular formula C17H13F4N3O2S and a molecular weight of 399.37 g/mol. Its IUPAC name is 4-[5-fluoro-4-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-fluoro-4-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID169097295
Molecular FormulaC17H13F4N3O2S
Molecular Weight399.37 g/mol
Exact Mass399.07
IUPAC Name4-[5-fluoro-4-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2c(C(F)(F)F)nn(-c3ccc(S(N)(=O)=O)cc3)c2F)cc1
InChIInChI=1S/C17H13F4N3O2S/c1-10-2-4-11(5-3-10)14-15(17(19,20)21)23-24(16(14)18)12-6-8-13(9-7-12)27(22,25)26/h2-9H,1H3,(H2,22,25,26)
InChIKeyPLSCGQSLZUBESG-UHFFFAOYSA-N
XLogP3.65
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 19355442
sodium;hydride;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;hydrate
CID 173010956
N-methyl-4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide
CID 67736115
4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100560964
4-(4-tert-butylphenyl)-5-fluoro-1-phenyl-3-(trifluoromethyl)pyrazole
CID 169097302
4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100561110
N-[4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]acetamide
CID 19041369
4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-pyridin-4-ylpyridine
CID 139199315
4-[4-(2,4-difluorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
CID 19041287
N-[[4-[1-phenyl-5-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]methyl]acetamide
CID 19041481
4-[4-hydroxy-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10738721
ethane;4-[2-(4-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 142982508

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-4-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-fluoro-4-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 169097295) is 4-[5-fluoro-4-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-fluoro-4-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-fluoro-4-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is Cc1ccc(-c2c(C(F)(F)F)nn(-c3ccc(S(N)(=O)=O)cc3)c2F)cc1.
What is the InChIKey of 4-[5-fluoro-4-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is PLSCGQSLZUBESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3O2S/c1-10-2-4-11(5-3-10)14-15(17(19,20)21)23-24(16(14)18)12-6-8-13(9-7-12)27(22,25)26/h2-9H,1H3,(H2,22,25,26).
What are the key properties of 4-[5-fluoro-4-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-fluoro-4-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 399.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-4-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 169097295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).