4-fluoro-N-(oxan-3-yl)benzenesulfonamide

C11H14FNO3S — CID 55189326

IUPAC4-fluoro-N-(oxan-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCOC1)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO3S/c12-9-3-5-11(6-4-9)17(14,15)13-10-2-1-7-16-8-10/h3-6,10,13H,1-2,7-8H2
InChIKeyZUYPGZRNYUIYQY-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.28
Rot. Bonds3

About 4-fluoro-N-(oxan-3-yl)benzenesulfonamide

4-fluoro-N-(oxan-3-yl)benzenesulfonamide (PubChem CID 55189326) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is 4-fluoro-N-(oxan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(oxan-3-yl)benzenesulfonamide
PubChem CID55189326
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name4-fluoro-N-(oxan-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCOC1)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO3S/c12-9-3-5-11(6-4-9)17(14,15)13-10-2-1-7-16-8-10/h3-6,10,13H,1-2,7-8H2
InChIKeyZUYPGZRNYUIYQY-UHFFFAOYSA-N
XLogP1.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(oxan-3-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(oxan-3-yl)benzenesulfonamide (CID 55189326) is 4-fluoro-N-(oxan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(oxan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(oxan-3-yl)benzenesulfonamide is O=S(=O)(NC1CCCOC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(oxan-3-yl)benzenesulfonamide?
The InChIKey is ZUYPGZRNYUIYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c12-9-3-5-11(6-4-9)17(14,15)13-10-2-1-7-16-8-10/h3-6,10,13H,1-2,7-8H2.
What are the key properties of 4-fluoro-N-(oxan-3-yl)benzenesulfonamide?
4-fluoro-N-(oxan-3-yl)benzenesulfonamide has a molecular weight of 259.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(oxan-3-yl)benzenesulfonamide is sourced from PubChem (CID 55189326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).