4-[4-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide

C17H13F4N3O2S — CID 19355220

IUPAC4-[4-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCc1cc(F)ccc1-c1c(-c2ccc(S(N)(=O)=O)cc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C17H13F4N3O2S/c1-9-8-11(18)4-7-13(9)14-15(23-24-16(14)17(19,20)21)10-2-5-12(6-3-10)27(22,25)26/h2-8H,1H3,(H,23,24)(H2,22,25,26)
InChIKeyOWYPRNWXPQGXMO-UHFFFAOYSA-N
MW399.37 g/mol
LogP3.86
Rot. Bonds3

About 4-[4-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide

4-[4-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide (PubChem CID 19355220) has the molecular formula C17H13F4N3O2S and a molecular weight of 399.37 g/mol. Its IUPAC name is 4-[4-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
PubChem CID19355220
Molecular FormulaC17H13F4N3O2S
Molecular Weight399.37 g/mol
Exact Mass399.07
IUPAC Name4-[4-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCc1cc(F)ccc1-c1c(-c2ccc(S(N)(=O)=O)cc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C17H13F4N3O2S/c1-9-8-11(18)4-7-13(9)14-15(23-24-16(14)17(19,20)21)10-2-5-12(6-3-10)27(22,25)26/h2-8H,1H3,(H,23,24)(H2,22,25,26)
InChIKeyOWYPRNWXPQGXMO-UHFFFAOYSA-N
XLogP3.86
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-diphenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56659731
N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56680214
MEK4 inhibitor-1
CID 155424828
4-[1-Ethyl-4-(4-fluoro-phenyl)-5-trifluoromethyl-1H-pyrazol-3-yl]-benzenesulfonamide
CID 10223461
4-[5-(2'-Methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl] benzenesulfonamide
CID 23209725
4-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-5-trifluoromethyl-1H-pyrazole
CID 15380222
4-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-1H-pyrazole
CID 15380227
3-(4-Fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrazole
CID 16080432
3-(4-Fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole
CID 135029075
3-(2-Fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole
CID 135029078
5-(4-Fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole
CID 135029087
5-(2-Fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylpyrazole
CID 135029088

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide (CID 19355220) is 4-[4-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide is Cc1cc(F)ccc1-c1c(-c2ccc(S(N)(=O)=O)cc2)n[nH]c1C(F)(F)F.
What is the InChIKey of 4-[4-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide?
The InChIKey is OWYPRNWXPQGXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3O2S/c1-9-8-11(18)4-7-13(9)14-15(23-24-16(14)17(19,20)21)10-2-5-12(6-3-10)27(22,25)26/h2-8H,1H3,(H,23,24)(H2,22,25,26).
What are the key properties of 4-[4-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide?
4-[4-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide has a molecular weight of 399.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 19355220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).