5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid

C16H13N3O4S — CID 10043064

IUPAC5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)O)cc2-c2ccccc2)cc1
InChIInChI=1S/C16H13N3O4S/c17-24(22,23)13-8-6-12(7-9-13)19-15(10-14(18-19)16(20)21)11-4-2-1-3-5-11/h1-10H,(H,20,21)(H2,17,22,23)
InChIKeyZUYWYYWKSODESD-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.88
Rot. Bonds4

About 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid

5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid (PubChem CID 10043064) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid
PubChem CID10043064
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)O)cc2-c2ccccc2)cc1
InChIInChI=1S/C16H13N3O4S/c17-24(22,23)13-8-6-12(7-9-13)19-15(10-14(18-19)16(20)21)11-4-2-1-3-5-11/h1-10H,(H,20,21)(H2,17,22,23)
InChIKeyZUYWYYWKSODESD-UHFFFAOYSA-N
XLogP1.88
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid (CID 10043064) is 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid is NS(=O)(=O)c1ccc(-n2nc(C(=O)O)cc2-c2ccccc2)cc1.
What is the InChIKey of 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid?
The InChIKey is ZUYWYYWKSODESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c17-24(22,23)13-8-6-12(7-9-13)19-15(10-14(18-19)16(20)21)11-4-2-1-3-5-11/h1-10H,(H,20,21)(H2,17,22,23).
What are the key properties of 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid?
5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid has a molecular weight of 343.36 g/mol, XLogP of 1.88, 4 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)pyrazole-3-carboxylic acid is sourced from PubChem (CID 10043064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).