5-(4-chlorophenyl)-4-phenyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide

C23H17ClF3N3O3S — CID 166135591

IUPAC5-(4-chlorophenyl)-4-phenyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1C(F)(F)F)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C23H17ClF3N3O3S/c24-17-12-10-16(11-13-17)21-18(15-6-2-1-3-7-15)14-30(28-21)22(31)29-34(32,33)20-9-5-4-8-19(20)23(25,26)27/h1-13,18H,14H2,(H,29,31)
InChIKeyNXYGLSCGNNOCQL-UHFFFAOYSA-N
MW507.92 g/mol
LogP5.26
Rot. Bonds4

About 5-(4-chlorophenyl)-4-phenyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide

5-(4-chlorophenyl)-4-phenyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 166135591) has the molecular formula C23H17ClF3N3O3S and a molecular weight of 507.92 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-phenyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-phenyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID166135591
Molecular FormulaC23H17ClF3N3O3S
Molecular Weight507.92 g/mol
Exact Mass507.06
IUPAC Name5-(4-chlorophenyl)-4-phenyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1C(F)(F)F)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C23H17ClF3N3O3S/c24-17-12-10-16(11-13-17)21-18(15-6-2-1-3-7-15)14-30(28-21)22(31)29-34(32,33)20-9-5-4-8-19(20)23(25,26)27/h1-13,18H,14H2,(H,29,31)
InChIKeyNXYGLSCGNNOCQL-UHFFFAOYSA-N
XLogP5.26
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.92
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-4-phenyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide 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 5-(4-chlorophenyl)-4-phenyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-phenyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide (CID 166135591) is 5-(4-chlorophenyl)-4-phenyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-phenyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-phenyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide is O=C(NS(=O)(=O)c1ccccc1C(F)(F)F)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 5-(4-chlorophenyl)-4-phenyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is NXYGLSCGNNOCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N3O3S/c24-17-12-10-16(11-13-17)21-18(15-6-2-1-3-7-15)14-30(28-21)22(31)29-34(32,33)20-9-5-4-8-19(20)23(25,26)27/h1-13,18H,14H2,(H,29,31).
What are the key properties of 5-(4-chlorophenyl)-4-phenyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide?
5-(4-chlorophenyl)-4-phenyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 507.92 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-phenyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 166135591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).