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

C16H12F3N3O2S — CID 67664264

IUPACN-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1cc(-c2ccccc2)c(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)15-14(12-7-3-1-4-8-12)11-22(20-15)21-25(23,24)13-9-5-2-6-10-13/h1-11,21H
InChIKeyLVIREFRCGKEVPF-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.50
Rot. Bonds4

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

N-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67664264) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is N-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67664264
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC NameN-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1cc(-c2ccccc2)c(C(F)(F)F)n1)c1ccccc1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)15-14(12-7-3-1-4-8-12)11-22(20-15)21-25(23,24)13-9-5-2-6-10-13/h1-11,21H
InChIKeyLVIREFRCGKEVPF-UHFFFAOYSA-N
XLogP3.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490769
4-[2-(4-Fluoro-phenyl)-pyrazolo[1,5-b]pyridazin-3-yl]-benzenesulfonamide
CID 44395070
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 53325446
1-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]-3-methyl-4-phenyl-1H-pyrazole
CID 582055
5-Benzhydryl-1-(trifluoromethylsulfonyl)pyrazole
CID 2806046
4-[5-(2'-Methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl] benzenesulfonamide
CID 23209725
4-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-1H-pyrazole
CID 15380227
3-(4-Fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrazole
CID 16080432
5-(4-Fluorophenyl)-4-iodo-1-(4-methylphenyl)sulfonylpyrazole
CID 164680520
1-(4-Chlorophenyl)sulfonyl-3-methyl-4-phenylpyrazole
CID 2805335
1-(Benzenesulfonyl)-5-benzhydrylpyrazole
CID 2806042
1-(Benzenesulfonyl)-3-[4-(2-phenylethynyl)phenyl]pyrazole
CID 2822661

Frequently Asked Questions

What is the IUPAC name of N-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 67664264) is N-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is O=S(=O)(Nn1cc(-c2ccccc2)c(C(F)(F)F)n1)c1ccccc1.
What is the InChIKey of N-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is LVIREFRCGKEVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c17-16(18,19)15-14(12-7-3-1-4-8-12)11-22(20-15)21-25(23,24)13-9-5-2-6-10-13/h1-11,21H.
What are the key properties of N-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
N-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 367.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67664264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).