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

C22H17Cl2N3O3S — CID 68692319

IUPAC2-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)C1=NN(c2ccc(Cl)cc2)C(c2ccccc2)C1
InChIInChI=1S/C22H17Cl2N3O3S/c23-16-6-10-18(11-7-16)27-21(15-4-2-1-3-5-15)14-20(25-27)22(28)26-31(29,30)19-12-8-17(24)9-13-19/h1-13,21H,14H2,(H,26,28)
InChIKeyBDPVFXILLDIEOM-UHFFFAOYSA-N
MW474.37 g/mol
LogP4.81
Rot. Bonds5

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

2-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 68692319) has the molecular formula C22H17Cl2N3O3S and a molecular weight of 474.37 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID68692319
Molecular FormulaC22H17Cl2N3O3S
Molecular Weight474.37 g/mol
Exact Mass473.04
IUPAC Name2-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)C1=NN(c2ccc(Cl)cc2)C(c2ccccc2)C1
InChIInChI=1S/C22H17Cl2N3O3S/c23-16-6-10-18(11-7-16)27-21(15-4-2-1-3-5-15)14-20(25-27)22(28)26-31(29,30)19-12-8-17(24)9-13-19/h1-13,21H,14H2,(H,26,28)
InChIKeyBDPVFXILLDIEOM-UHFFFAOYSA-N
XLogP4.81
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.37
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide (CID 68692319) is 2-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)C1=NN(c2ccc(Cl)cc2)C(c2ccccc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is BDPVFXILLDIEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O3S/c23-16-6-10-18(11-7-16)27-21(15-4-2-1-3-5-15)14-20(25-27)22(28)26-31(29,30)19-12-8-17(24)9-13-19/h1-13,21H,14H2,(H,26,28).
What are the key properties of 2-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
2-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 474.37 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 68692319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).