2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid

C12H8ClFN2O4S — CID 116812704

IUPAC2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccc(F)n2)ccc1Cl
InChIInChI=1S/C12H8ClFN2O4S/c13-9-5-4-7(6-8(9)12(17)18)21(19,20)16-11-3-1-2-10(14)15-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyYHPKICZICGGTSS-UHFFFAOYSA-N
MW330.72 g/mol
LogP2.37
Rot. Bonds4

About 2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid

2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid (PubChem CID 116812704) has the molecular formula C12H8ClFN2O4S and a molecular weight of 330.72 g/mol. Its IUPAC name is 2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
PubChem CID116812704
Molecular FormulaC12H8ClFN2O4S
Molecular Weight330.72 g/mol
Exact Mass329.99
IUPAC Name2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccc(F)n2)ccc1Cl
InChIInChI=1S/C12H8ClFN2O4S/c13-9-5-4-7(6-8(9)12(17)18)21(19,20)16-11-3-1-2-10(14)15-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyYHPKICZICGGTSS-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'}

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Related Compounds

2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794803
4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821539
4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 116812709
N-(6-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 104821551
2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 28519051
2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 29285613
2-chloro-4-[(5-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
CID 107090141
2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 51118457
N-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 104821684
4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821544
2-chloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25391393
2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide
CID 104821583

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid (CID 116812704) is 2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2cccc(F)n2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid?
The InChIKey is YHPKICZICGGTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O4S/c13-9-5-4-7(6-8(9)12(17)18)21(19,20)16-11-3-1-2-10(14)15-11/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid?
2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic 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 2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 116812704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).