4-[5-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]benzoic acid

C16H13N3O4S — CID 19355278

IUPAC4-[5-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]benzoic acid
SMILESNS(=O)(=O)c1ccc(-c2[nH]ncc2-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H13N3O4S/c17-24(22,23)13-7-5-11(6-8-13)15-14(9-18-19-15)10-1-3-12(4-2-10)16(20)21/h1-9H,(H,18,19)(H,20,21)(H2,17,22,23)
InChIKeyQKTUYCMMQSOWMV-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.09
Rot. Bonds4

About 4-[5-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]benzoic acid

4-[5-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]benzoic acid (PubChem CID 19355278) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is 4-[5-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]benzoic acid
PubChem CID19355278
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name4-[5-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]benzoic acid
SMILESNS(=O)(=O)c1ccc(-c2[nH]ncc2-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H13N3O4S/c17-24(22,23)13-7-5-11(6-8-13)15-14(9-18-19-15)10-1-3-12(4-2-10)16(20)21/h1-9H,(H,18,19)(H,20,21)(H2,17,22,23)
InChIKeyQKTUYCMMQSOWMV-UHFFFAOYSA-N
XLogP2.09
TPSA126.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[5-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-[4-(4-aminophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 19355772
4-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide
CID 19355817
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]benzamide;2,2,2-trifluoroacetic acid
CID 117076487
4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490711
3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490570
4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid
CID 122194782
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]aniline;2,2,2-trifluoroacetic acid
CID 117076491
4-(2,2-dimethylpropanoyl)benzenesulfonamide;4-sulfamoylbenzoic acid
CID 159148470
4-(5-phenyl-1H-pyrazol-4-yl)aniline
CID 39222207
pyridine-4-carboxamide;4-sulfamoylbenzoic acid
CID 139186564
4-sulfamoylbenzoyl iodide
CID 88945846
5-(4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
CID 19355318

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]benzoic acid?
The IUPAC name of 4-[5-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]benzoic acid (CID 19355278) is 4-[5-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]benzoic acid.
What is the SMILES notation for 4-[5-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]benzoic acid?
The canonical SMILES for 4-[5-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]benzoic acid is NS(=O)(=O)c1ccc(-c2[nH]ncc2-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[5-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]benzoic acid?
The InChIKey is QKTUYCMMQSOWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c17-24(22,23)13-7-5-11(6-8-13)15-14(9-18-19-15)10-1-3-12(4-2-10)16(20)21/h1-9H,(H,18,19)(H,20,21)(H2,17,22,23).
What are the key properties of 4-[5-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]benzoic acid?
4-[5-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]benzoic acid has a molecular weight of 343.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]benzoic acid is sourced from PubChem (CID 19355278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).