5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid

C12H8ClFN2O4S — CID 43237867

IUPAC5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccnc2Cl)ccc1F
InChIInChI=1S/C12H8ClFN2O4S/c13-11-10(2-1-5-15-11)16-21(19,20)7-3-4-9(14)8(6-7)12(17)18/h1-6,16H,(H,17,18)
InChIKeyZRQPMRAOBAVZQR-UHFFFAOYSA-N
MW330.72 g/mol
LogP2.37
Rot. Bonds4

About 5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid

5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid (PubChem CID 43237867) has the molecular formula C12H8ClFN2O4S and a molecular weight of 330.72 g/mol. Its IUPAC name is 5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid
PubChem CID43237867
Molecular FormulaC12H8ClFN2O4S
Molecular Weight330.72 g/mol
Exact Mass329.99
IUPAC Name5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccnc2Cl)ccc1F
InChIInChI=1S/C12H8ClFN2O4S/c13-11-10(2-1-5-15-11)16-21(19,20)7-3-4-9(14)8(6-7)12(17)18/h1-6,16H,(H,17,18)
InChIKeyZRQPMRAOBAVZQR-UHFFFAOYSA-N
XLogP2.37
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.72
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic 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

2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid
CID 103710289
4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 103709774
N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 2169091
4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43361749
2-methyl-5-[(2-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 79042866
4-[(2-chloro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43245095
N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26969819
4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide
CID 4994113
N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide
CID 113221263
2-iodo-5-[(2-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 103962591
dimethyl 5-[(2-chloro-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate
CID 18287797
5-[(2-fluorophenyl)sulfamoyl]-2-iodobenzoic acid
CID 103962204

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid?
The IUPAC name of 5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid (CID 43237867) is 5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid.
What is the SMILES notation for 5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid?
The canonical SMILES for 5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2cccnc2Cl)ccc1F.
What is the InChIKey of 5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid?
The InChIKey is ZRQPMRAOBAVZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O4S/c13-11-10(2-1-5-15-11)16-21(19,20)7-3-4-9(14)8(6-7)12(17)18/h1-6,16H,(H,17,18).
What are the key properties of 5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid?
5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid has a molecular weight of 330.72 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-3-pyridinyl)sulfamoyl]-2-fluorobenzoic acid is sourced from PubChem (CID 43237867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).