4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid

C10H7FN2O4S2 — CID 116812709

IUPAC4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccc(F)n2)cs1
InChIInChI=1S/C10H7FN2O4S2/c11-8-2-1-3-9(12-8)13-19(16,17)6-4-7(10(14)15)18-5-6/h1-5H,(H,12,13)(H,14,15)
InChIKeyQXYOOOAYKKLEST-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.78
Rot. Bonds4

About 4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid

4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 116812709) has the molecular formula C10H7FN2O4S2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID116812709
Molecular FormulaC10H7FN2O4S2
Molecular Weight302.31 g/mol
Exact Mass301.98
IUPAC Name4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccc(F)n2)cs1
InChIInChI=1S/C10H7FN2O4S2/c11-8-2-1-3-9(12-8)13-19(16,17)6-4-7(10(14)15)18-5-6/h1-5H,(H,12,13)(H,14,15)
InChIKeyQXYOOOAYKKLEST-UHFFFAOYSA-N
XLogP1.78
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-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

Related Compounds

4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 154780485
2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
CID 116812704
4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 63618335
4-[(5-chloro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 27243480
4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 113433470
4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821539
N-(6-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 104821551
5-fluoro-N-(6-fluoro-2-pyridinyl)pyridine-3-sulfonamide
CID 113457005
4-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylic acid
CID 55247817
4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 61062569
4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821544
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290

Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid (CID 116812709) is 4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2cccc(F)n2)cs1.
What is the InChIKey of 4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is QXYOOOAYKKLEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O4S2/c11-8-2-1-3-9(12-8)13-19(16,17)6-4-7(10(14)15)18-5-6/h1-5H,(H,12,13)(H,14,15).
What are the key properties of 4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 302.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 116812709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).