6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid

C12H8ClFN2O4S — CID 63643790

IUPAC6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H8ClFN2O4S/c13-8-6-7(14)4-5-10(8)21(19,20)16-11-3-1-2-9(15-11)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyLNXWBIFTEAMUSC-UHFFFAOYSA-N
MW330.72 g/mol
LogP2.37
Rot. Bonds4

About 6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid

6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid (PubChem CID 63643790) has the molecular formula C12H8ClFN2O4S and a molecular weight of 330.72 g/mol. Its IUPAC name is 6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
PubChem CID63643790
Molecular FormulaC12H8ClFN2O4S
Molecular Weight330.72 g/mol
Exact Mass329.99
IUPAC Name6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H8ClFN2O4S/c13-8-6-7(14)4-5-10(8)21(19,20)16-11-3-1-2-9(15-11)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyLNXWBIFTEAMUSC-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

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Related Compounds

2-chloro-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide
CID 104821040
N-(6-chloro-2-pyridinyl)-2,5-difluorobenzenesulfonamide
CID 104821362
6-(benzenesulfonamido)pyridine-2-carboxylic acid
CID 5263740
2-chloro-N-(4-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide
CID 113251215
2-[[(2-chloro-4-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379522
N-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113456965
6-[(3-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 5263728
2-amino-4-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812633
6-[(5-methylthiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 5263723
6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid
CID 62240911
2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
CID 116812704
6-[(4-fluorobenzoyl)amino]pyridine-2-carboxylic acid
CID 63643772

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid (CID 63643790) is 6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)n1.
What is the InChIKey of 6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
The InChIKey is LNXWBIFTEAMUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O4S/c13-8-6-7(14)4-5-10(8)21(19,20)16-11-3-1-2-9(15-11)12(17)18/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic 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 6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63643790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).