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

C11H14FNO3S — CID 43610076

IUPAC2-fluoro-N-(oxan-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOCC1)c1ccccc1F
InChIInChI=1S/C11H14FNO3S/c12-10-3-1-2-4-11(10)17(14,15)13-9-5-7-16-8-6-9/h1-4,9,13H,5-8H2
InChIKeyVURQSMJFJYJUEL-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.28
Rot. Bonds3

About 2-fluoro-N-(oxan-4-yl)benzenesulfonamide

2-fluoro-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 43610076) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-fluoro-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(oxan-4-yl)benzenesulfonamide
PubChem CID43610076
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name2-fluoro-N-(oxan-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOCC1)c1ccccc1F
InChIInChI=1S/C11H14FNO3S/c12-10-3-1-2-4-11(10)17(14,15)13-9-5-7-16-8-6-9/h1-4,9,13H,5-8H2
InChIKeyVURQSMJFJYJUEL-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 2-fluoro-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(oxan-4-yl)benzenesulfonamide (CID 43610076) is 2-fluoro-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(oxan-4-yl)benzenesulfonamide is O=S(=O)(NC1CCOCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is VURQSMJFJYJUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c12-10-3-1-2-4-11(10)17(14,15)13-9-5-7-16-8-6-9/h1-4,9,13H,5-8H2.
What are the key properties of 2-fluoro-N-(oxan-4-yl)benzenesulfonamide?
2-fluoro-N-(oxan-4-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 2-fluoro-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 43610076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).