1-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid

C14H11N3O4S2 — CID 52916547

IUPAC1-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
SMILESNS(=O)(=O)c1ccc(-n2cc(C(=O)O)c(-c3cccs3)n2)cc1
InChIInChI=1S/C14H11N3O4S2/c15-23(20,21)10-5-3-9(4-6-10)17-8-11(14(18)19)13(16-17)12-2-1-7-22-12/h1-8H,(H,18,19)(H2,15,20,21)
InChIKeyRXIHSGOYAPMXRH-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.95
Rot. Bonds4

About 1-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid

1-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid (PubChem CID 52916547) has the molecular formula C14H11N3O4S2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
PubChem CID52916547
Molecular FormulaC14H11N3O4S2
Molecular Weight349.39 g/mol
Exact Mass349.02
IUPAC Name1-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
SMILESNS(=O)(=O)c1ccc(-n2cc(C(=O)O)c(-c3cccs3)n2)cc1
InChIInChI=1S/C14H11N3O4S2/c15-23(20,21)10-5-3-9(4-6-10)17-8-11(14(18)19)13(16-17)12-2-1-7-22-12/h1-8H,(H,18,19)(H2,15,20,21)
InChIKeyRXIHSGOYAPMXRH-UHFFFAOYSA-N
XLogP1.95
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-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 1-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid (CID 52916547) is 1-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid is NS(=O)(=O)c1ccc(-n2cc(C(=O)O)c(-c3cccs3)n2)cc1.
What is the InChIKey of 1-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The InChIKey is RXIHSGOYAPMXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4S2/c15-23(20,21)10-5-3-9(4-6-10)17-8-11(14(18)19)13(16-17)12-2-1-7-22-12/h1-8H,(H,18,19)(H2,15,20,21).
What are the key properties of 1-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
1-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-sulfamoylphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 52916547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).