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

C22H16ClFN4O3S — CID 15485784

IUPACN-(3-chlorophenyl)-5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H16ClFN4O3S/c23-15-2-1-3-17(12-15)26-22(29)20-13-21(14-4-6-16(24)7-5-14)28(27-20)18-8-10-19(11-9-18)32(25,30)31/h1-13H,(H,26,29)(H2,25,30,31)
InChIKeyAUDIKJKYMGBIIN-UHFFFAOYSA-N
MW470.91 g/mol
LogP4.23
Rot. Bonds5

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

N-(3-chlorophenyl)-5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 15485784) has the molecular formula C22H16ClFN4O3S and a molecular weight of 470.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID15485784
Molecular FormulaC22H16ClFN4O3S
Molecular Weight470.91 g/mol
Exact Mass470.06
IUPAC NameN-(3-chlorophenyl)-5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H16ClFN4O3S/c23-15-2-1-3-17(12-15)26-22(29)20-13-21(14-4-6-16(24)7-5-14)28(27-20)18-8-10-19(11-9-18)32(25,30)31/h1-13H,(H,26,29)(H2,25,30,31)
InChIKeyAUDIKJKYMGBIIN-UHFFFAOYSA-N
XLogP4.23
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.91
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (CID 15485784) is N-(3-chlorophenyl)-5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide is NS(=O)(=O)c1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is AUDIKJKYMGBIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN4O3S/c23-15-2-1-3-17(12-15)26-22(29)20-13-21(14-4-6-16(24)7-5-14)28(27-20)18-8-10-19(11-9-18)32(25,30)31/h1-13H,(H,26,29)(H2,25,30,31).
What are the key properties of N-(3-chlorophenyl)-5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
N-(3-chlorophenyl)-5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 470.91 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 15485784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).