6-[(3-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid

C12H9FN2O4S — CID 63643269

IUPAC6-[(3-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2cccc(F)c2)n1
InChIInChI=1S/C12H9FN2O4S/c13-8-3-1-4-9(7-8)20(18,19)15-11-6-2-5-10(14-11)12(16)17/h1-7H,(H,14,15)(H,16,17)
InChIKeyVGIAQFWTKYPECS-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.72
Rot. Bonds4

About 6-[(3-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid

6-[(3-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid (PubChem CID 63643269) has the molecular formula C12H9FN2O4S and a molecular weight of 296.28 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
PubChem CID63643269
Molecular FormulaC12H9FN2O4S
Molecular Weight296.28 g/mol
Exact Mass296.03
IUPAC Name6-[(3-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2cccc(F)c2)n1
InChIInChI=1S/C12H9FN2O4S/c13-8-3-1-4-9(7-8)20(18,19)15-11-6-2-5-10(14-11)12(16)17/h1-7H,(H,14,15)(H,16,17)
InChIKeyVGIAQFWTKYPECS-UHFFFAOYSA-N
XLogP1.72
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid (CID 63643269) is 6-[(3-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NS(=O)(=O)c2cccc(F)c2)n1.
What is the InChIKey of 6-[(3-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
The InChIKey is VGIAQFWTKYPECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O4S/c13-8-3-1-4-9(7-8)20(18,19)15-11-6-2-5-10(14-11)12(16)17/h1-7H,(H,14,15)(H,16,17).
What are the key properties of 6-[(3-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
6-[(3-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid has a molecular weight of 296.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63643269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).