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

C22H17Cl2N3O3S — CID 11374894

IUPAC5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C22H17Cl2N3O3S/c23-17-8-6-16(7-9-17)21-20(15-4-2-1-3-5-15)14-27(25-21)22(28)26-31(29,30)19-12-10-18(24)11-13-19/h1-13,20H,14H2,(H,26,28)
InChIKeyZUOBXCIPMDWWFZ-UHFFFAOYSA-N
MW474.37 g/mol
LogP4.90
Rot. Bonds4

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

5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 11374894) has the molecular formula C22H17Cl2N3O3S and a molecular weight of 474.37 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID11374894
Molecular FormulaC22H17Cl2N3O3S
Molecular Weight474.37 g/mol
Exact Mass473.04
IUPAC Name5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C22H17Cl2N3O3S/c23-17-8-6-16(7-9-17)21-20(15-4-2-1-3-5-15)14-27(25-21)22(28)26-31(29,30)19-12-10-18(24)11-13-19/h1-13,20H,14H2,(H,26,28)
InChIKeyZUOBXCIPMDWWFZ-UHFFFAOYSA-N
XLogP4.90
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.37
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 11374894) is 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is ZUOBXCIPMDWWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O3S/c23-17-8-6-16(7-9-17)21-20(15-4-2-1-3-5-15)14-27(25-21)22(28)26-31(29,30)19-12-10-18(24)11-13-19/h1-13,20H,14H2,(H,26,28).
What are the key properties of 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 474.37 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 11374894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).