6-[(3,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid

C12H8F2N2O4S — CID 63643608

IUPAC6-[(3,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H8F2N2O4S/c13-8-5-4-7(6-9(8)14)21(19,20)16-11-3-1-2-10(15-11)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyOILOCXIJZAYGCC-UHFFFAOYSA-N
MW314.27 g/mol
LogP1.86
Rot. Bonds4

About 6-[(3,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid

6-[(3,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid (PubChem CID 63643608) has the molecular formula C12H8F2N2O4S and a molecular weight of 314.27 g/mol. Its IUPAC name is 6-[(3,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
PubChem CID63643608
Molecular FormulaC12H8F2N2O4S
Molecular Weight314.27 g/mol
Exact Mass314.02
IUPAC Name6-[(3,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H8F2N2O4S/c13-8-5-4-7(6-9(8)14)21(19,20)16-11-3-1-2-10(15-11)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyOILOCXIJZAYGCC-UHFFFAOYSA-N
XLogP1.86
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Aminopyridine-2-carboxylic acid
CID 351652
6-(2-Fluoro-4-sulfamoyl-phenylcarbamoyl)-pyridine-2-carboxylic acid
CID 10497272
6-(4-Sulfamoyl-phenylcarbamoyl)-pyridine-2-carboxylic acid
CID 10567759
6-(Sulfamoylamino)pyridine-2-carboxylic acid
CID 114958876
6-[(2-Fluoro-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid;hydrochloride
CID 45263973
6-[[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122057494
2,5-difluoro-N-[6-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide
CID 11702158
6-(3,4-Difluoroanilino)pyridine-2-carboxylic acid
CID 55053604
6-Amino-3-fluoropyridine-2-carboxylic acid
CID 130935593
6-[1-(4-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxylic acid
CID 140213550
6-[1-(2,4,6-trifluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxylic acid
CID 140213560
Methyl 6-[(2,6-difluorophenyl)sulfonylamino]pyridine-2-carboxylate
CID 176258994

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid (CID 63643608) is 6-[(3,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-[(3,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
The InChIKey is OILOCXIJZAYGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O4S/c13-8-5-4-7(6-9(8)14)21(19,20)16-11-3-1-2-10(15-11)12(17)18/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 6-[(3,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
6-[(3,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid has a molecular weight of 314.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63643608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).