5-phenyl-1-(4-sulfamoylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C23H17F3N4O3S — CID 162677419

IUPAC5-phenyl-1-(4-sulfamoylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C23H17F3N4O3S/c24-23(25,26)16-6-8-17(9-7-16)28-22(31)20-14-21(15-4-2-1-3-5-15)30(29-20)18-10-12-19(13-11-18)34(27,32)33/h1-14H,(H,28,31)(H2,27,32,33)
InChIKeyDGDKMODXYCNXLU-UHFFFAOYSA-N
MW486.48 g/mol
LogP4.46
Rot. Bonds5

About 5-phenyl-1-(4-sulfamoylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

5-phenyl-1-(4-sulfamoylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 162677419) has the molecular formula C23H17F3N4O3S and a molecular weight of 486.48 g/mol. Its IUPAC name is 5-phenyl-1-(4-sulfamoylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-1-(4-sulfamoylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID162677419
Molecular FormulaC23H17F3N4O3S
Molecular Weight486.48 g/mol
Exact Mass486.10
IUPAC Name5-phenyl-1-(4-sulfamoylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C23H17F3N4O3S/c24-23(25,26)16-6-8-17(9-7-16)28-22(31)20-14-21(15-4-2-1-3-5-15)30(29-20)18-10-12-19(13-11-18)34(27,32)33/h1-14H,(H,28,31)(H2,27,32,33)
InChIKeyDGDKMODXYCNXLU-UHFFFAOYSA-N
XLogP4.46
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.48
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Dpc-423
CID 9937921
1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 9869498
Dpc-602
CID 9915041
1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 9895762
2-(3-carbamimidoylphenyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44369271
1-[3-(aminomethyl)phenyl]-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 10769476
1-(3-cyanophenyl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 10790019
1-(2-aminophenyl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 10906426
1-(3-aminophenyl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 11048586
1-(3-carbamoylphenyl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 11049038
1-[3-(dihydroxyboranyl)phenyl]-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 11826875
2-(3-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid (3-fluoro-2''-sulfamoyl-biphenyl-4-yl)-amide
CID 9830932

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-(4-sulfamoylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 5-phenyl-1-(4-sulfamoylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 162677419) is 5-phenyl-1-(4-sulfamoylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-1-(4-sulfamoylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-phenyl-1-(4-sulfamoylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is NS(=O)(=O)c1ccc(-n2nc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of 5-phenyl-1-(4-sulfamoylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is DGDKMODXYCNXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O3S/c24-23(25,26)16-6-8-17(9-7-16)28-22(31)20-14-21(15-4-2-1-3-5-15)30(29-20)18-10-12-19(13-11-18)34(27,32)33/h1-14H,(H,28,31)(H2,27,32,33).
What are the key properties of 5-phenyl-1-(4-sulfamoylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
5-phenyl-1-(4-sulfamoylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 486.48 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-(4-sulfamoylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 162677419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).