2-fluoro-6-[(3-sulfamoyl-2-pyridinyl)oxy]benzamide

C12H10FN3O4S — CID 115928496

IUPAC2-fluoro-6-[(3-sulfamoyl-2-pyridinyl)oxy]benzamide
SMILESNC(=O)c1c(F)cccc1Oc1ncccc1S(N)(=O)=O
InChIInChI=1S/C12H10FN3O4S/c13-7-3-1-4-8(10(7)11(14)17)20-12-9(21(15,18)19)5-2-6-16-12/h1-6H,(H2,14,17)(H2,15,18,19)
InChIKeyPXPPMCWXAPWQDG-UHFFFAOYSA-N
MW311.29 g/mol
LogP0.76
Rot. Bonds4

About 2-fluoro-6-[(3-sulfamoyl-2-pyridinyl)oxy]benzamide

2-fluoro-6-[(3-sulfamoyl-2-pyridinyl)oxy]benzamide (PubChem CID 115928496) has the molecular formula C12H10FN3O4S and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-fluoro-6-[(3-sulfamoyl-2-pyridinyl)oxy]benzamide.

Molecular Properties

Compound Name2-fluoro-6-[(3-sulfamoyl-2-pyridinyl)oxy]benzamide
PubChem CID115928496
Molecular FormulaC12H10FN3O4S
Molecular Weight311.29 g/mol
Exact Mass311.04
IUPAC Name2-fluoro-6-[(3-sulfamoyl-2-pyridinyl)oxy]benzamide
SMILESNC(=O)c1c(F)cccc1Oc1ncccc1S(N)(=O)=O
InChIInChI=1S/C12H10FN3O4S/c13-7-3-1-4-8(10(7)11(14)17)20-12-9(21(15,18)19)5-2-6-16-12/h1-6H,(H2,14,17)(H2,15,18,19)
InChIKeyPXPPMCWXAPWQDG-UHFFFAOYSA-N
XLogP0.76
TPSA125.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(3-sulfamoyl-2-pyridinyl)oxy]benzamide?
The IUPAC name of 2-fluoro-6-[(3-sulfamoyl-2-pyridinyl)oxy]benzamide (CID 115928496) is 2-fluoro-6-[(3-sulfamoyl-2-pyridinyl)oxy]benzamide.
What is the SMILES notation for 2-fluoro-6-[(3-sulfamoyl-2-pyridinyl)oxy]benzamide?
The canonical SMILES for 2-fluoro-6-[(3-sulfamoyl-2-pyridinyl)oxy]benzamide is NC(=O)c1c(F)cccc1Oc1ncccc1S(N)(=O)=O.
What is the InChIKey of 2-fluoro-6-[(3-sulfamoyl-2-pyridinyl)oxy]benzamide?
The InChIKey is PXPPMCWXAPWQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O4S/c13-7-3-1-4-8(10(7)11(14)17)20-12-9(21(15,18)19)5-2-6-16-12/h1-6H,(H2,14,17)(H2,15,18,19).
What are the key properties of 2-fluoro-6-[(3-sulfamoyl-2-pyridinyl)oxy]benzamide?
2-fluoro-6-[(3-sulfamoyl-2-pyridinyl)oxy]benzamide has a molecular weight of 311.29 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(3-sulfamoyl-2-pyridinyl)oxy]benzamide is sourced from PubChem (CID 115928496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).