5-(4-chlorophenyl)-1-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide

C22H17ClN4O3S — CID 171038041

IUPAC5-(4-chlorophenyl)-1-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H17ClN4O3S/c23-16-8-6-15(7-9-16)21-14-20(26-27(21)18-4-2-1-3-5-18)22(28)25-17-10-12-19(13-11-17)31(24,29)30/h1-14H,(H,25,28)(H2,24,29,30)
InChIKeyKWQRLHRLFZGQKL-UHFFFAOYSA-N
MW452.92 g/mol
LogP4.09
Rot. Bonds5

About 5-(4-chlorophenyl)-1-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide

5-(4-chlorophenyl)-1-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 171038041) has the molecular formula C22H17ClN4O3S and a molecular weight of 452.92 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID171038041
Molecular FormulaC22H17ClN4O3S
Molecular Weight452.92 g/mol
Exact Mass452.07
IUPAC Name5-(4-chlorophenyl)-1-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H17ClN4O3S/c23-16-8-6-15(7-9-16)21-14-20(26-27(21)18-4-2-1-3-5-18)22(28)25-17-10-12-19(13-11-17)31(24,29)30/h1-14H,(H,25,28)(H2,24,29,30)
InChIKeyKWQRLHRLFZGQKL-UHFFFAOYSA-N
XLogP4.09
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide (CID 171038041) is 5-(4-chlorophenyl)-1-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is KWQRLHRLFZGQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3S/c23-16-8-6-15(7-9-16)21-14-20(26-27(21)18-4-2-1-3-5-18)22(28)25-17-10-12-19(13-11-17)31(24,29)30/h1-14H,(H,25,28)(H2,24,29,30).
What are the key properties of 5-(4-chlorophenyl)-1-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 452.92 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 171038041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).