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

C12H8F2N2O4S — CID 63643432

IUPAC6-[(2,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc(F)cc2F)n1
InChIInChI=1S/C12H8F2N2O4S/c13-7-4-5-10(8(14)6-7)21(19,20)16-11-3-1-2-9(15-11)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyIINMRRMVQIJZHV-UHFFFAOYSA-N
MW314.27 g/mol
LogP1.86
Rot. Bonds4

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

6-[(2,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid (PubChem CID 63643432) has the molecular formula C12H8F2N2O4S and a molecular weight of 314.27 g/mol. Its IUPAC name is 6-[(2,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
PubChem CID63643432
Molecular FormulaC12H8F2N2O4S
Molecular Weight314.27 g/mol
Exact Mass314.02
IUPAC Name6-[(2,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc(F)cc2F)n1
InChIInChI=1S/C12H8F2N2O4S/c13-7-4-5-10(8(14)6-7)21(19,20)16-11-3-1-2-9(15-11)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyIINMRRMVQIJZHV-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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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid (CID 63643432) is 6-[(2,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NS(=O)(=O)c2ccc(F)cc2F)n1.
What is the InChIKey of 6-[(2,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
The InChIKey is IINMRRMVQIJZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O4S/c13-7-4-5-10(8(14)6-7)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-[(2,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
6-[(2,4-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-[(2,4-difluorophenyl)sulfonylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63643432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).