4-[3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide

C23H18F3N3O3S — CID 118855483

IUPAC4-[3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C23H18F3N3O3S/c1-32-19-10-4-15(5-11-19)21-14-22(16-2-6-17(7-3-16)23(24,25)26)29(28-21)18-8-12-20(13-9-18)33(27,30)31/h2-14H,1H3,(H2,27,30,31)
InChIKeyRMMSEAUQVUAMTI-UHFFFAOYSA-N
MW473.48 g/mol
LogP4.88
Rot. Bonds5

About 4-[3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide

4-[3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide (PubChem CID 118855483) has the molecular formula C23H18F3N3O3S and a molecular weight of 473.48 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide
PubChem CID118855483
Molecular FormulaC23H18F3N3O3S
Molecular Weight473.48 g/mol
Exact Mass473.10
IUPAC Name4-[3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C23H18F3N3O3S/c1-32-19-10-4-15(5-11-19)21-14-22(16-2-6-17(7-3-16)23(24,25)26)29(28-21)18-8-12-20(13-9-18)33(27,30)31/h2-14H,1H3,(H2,27,30,31)
InChIKeyRMMSEAUQVUAMTI-UHFFFAOYSA-N
XLogP4.88
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide (CID 118855483) is 4-[3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide is COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide?
The InChIKey is RMMSEAUQVUAMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3S/c1-32-19-10-4-15(5-11-19)21-14-22(16-2-6-17(7-3-16)23(24,25)26)29(28-21)18-8-12-20(13-9-18)33(27,30)31/h2-14H,1H3,(H2,27,30,31).
What are the key properties of 4-[3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide?
4-[3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide has a molecular weight of 473.48 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 118855483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).