2-[(2-chloro-5-fluorophenyl)sulfonylamino]pyridine-4-carboxylic acid

C12H8ClFN2O4S — CID 105399818

IUPAC2-[(2-chloro-5-fluorophenyl)sulfonylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NS(=O)(=O)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C12H8ClFN2O4S/c13-9-2-1-8(14)6-10(9)21(19,20)16-11-5-7(12(17)18)3-4-15-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyMYGPYBRMUVFBRS-UHFFFAOYSA-N
MW330.72 g/mol
LogP2.37
Rot. Bonds4

About 2-[(2-chloro-5-fluorophenyl)sulfonylamino]pyridine-4-carboxylic acid

2-[(2-chloro-5-fluorophenyl)sulfonylamino]pyridine-4-carboxylic acid (PubChem CID 105399818) has the molecular formula C12H8ClFN2O4S and a molecular weight of 330.72 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)sulfonylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)sulfonylamino]pyridine-4-carboxylic acid
PubChem CID105399818
Molecular FormulaC12H8ClFN2O4S
Molecular Weight330.72 g/mol
Exact Mass329.99
IUPAC Name2-[(2-chloro-5-fluorophenyl)sulfonylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NS(=O)(=O)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C12H8ClFN2O4S/c13-9-2-1-8(14)6-10(9)21(19,20)16-11-5-7(12(17)18)3-4-15-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyMYGPYBRMUVFBRS-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-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid
CID 107528839
2-chloro-N-(4-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide
CID 113251215
2-chloro-5-fluoro-N-phenylbenzenesulfonamide
CID 115610692
4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid
CID 107594770
2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259716
5-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 105399703
2-(3,4-dichloroanilino)pyridine-4-carboxylic acid
CID 13082139
2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid
CID 79766331
6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63643790
1-tert-butyl-3-(2-chloro-5-fluorophenyl)sulfonylurea
CID 90007961
2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide
CID 86790541
(2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid
CID 103862701

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)sulfonylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)sulfonylamino]pyridine-4-carboxylic acid (CID 105399818) is 2-[(2-chloro-5-fluorophenyl)sulfonylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)sulfonylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)sulfonylamino]pyridine-4-carboxylic acid is O=C(O)c1ccnc(NS(=O)(=O)c2cc(F)ccc2Cl)c1.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)sulfonylamino]pyridine-4-carboxylic acid?
The InChIKey is MYGPYBRMUVFBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O4S/c13-9-2-1-8(14)6-10(9)21(19,20)16-11-5-7(12(17)18)3-4-15-11/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-chloro-5-fluorophenyl)sulfonylamino]pyridine-4-carboxylic acid?
2-[(2-chloro-5-fluorophenyl)sulfonylamino]pyridine-4-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 2-[(2-chloro-5-fluorophenyl)sulfonylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105399818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).