5-(3-fluorophenyl)sulfonylpyridine-2-carboxamide

C12H9FN2O3S — CID 118160953

IUPAC5-(3-fluorophenyl)sulfonylpyridine-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)c2cccc(F)c2)cn1
InChIInChI=1S/C12H9FN2O3S/c13-8-2-1-3-9(6-8)19(17,18)10-4-5-11(12(14)16)15-7-10/h1-7H,(H2,14,16)
InChIKeyGGPOXOWPUSSNJZ-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.15
Rot. Bonds3

About 5-(3-fluorophenyl)sulfonylpyridine-2-carboxamide

5-(3-fluorophenyl)sulfonylpyridine-2-carboxamide (PubChem CID 118160953) has the molecular formula C12H9FN2O3S and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-(3-fluorophenyl)sulfonylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)sulfonylpyridine-2-carboxamide
PubChem CID118160953
Molecular FormulaC12H9FN2O3S
Molecular Weight280.28 g/mol
Exact Mass280.03
IUPAC Name5-(3-fluorophenyl)sulfonylpyridine-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)c2cccc(F)c2)cn1
InChIInChI=1S/C12H9FN2O3S/c13-8-2-1-3-9(6-8)19(17,18)10-4-5-11(12(14)16)15-7-10/h1-7H,(H2,14,16)
InChIKeyGGPOXOWPUSSNJZ-UHFFFAOYSA-N
XLogP1.15
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)sulfonylpyridine-2-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)sulfonylpyridine-2-carboxamide (CID 118160953) is 5-(3-fluorophenyl)sulfonylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)sulfonylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)sulfonylpyridine-2-carboxamide is NC(=O)c1ccc(S(=O)(=O)c2cccc(F)c2)cn1.
What is the InChIKey of 5-(3-fluorophenyl)sulfonylpyridine-2-carboxamide?
The InChIKey is GGPOXOWPUSSNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3S/c13-8-2-1-3-9(6-8)19(17,18)10-4-5-11(12(14)16)15-7-10/h1-7H,(H2,14,16).
What are the key properties of 5-(3-fluorophenyl)sulfonylpyridine-2-carboxamide?
5-(3-fluorophenyl)sulfonylpyridine-2-carboxamide has a molecular weight of 280.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)sulfonylpyridine-2-carboxamide is sourced from PubChem (CID 118160953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).