2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide

C12H16FNO3S — CID 47298919

IUPAC2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCOC1)c1ccccc1F
InChIInChI=1S/C12H16FNO3S/c13-11-5-1-2-6-12(11)18(15,16)14-8-10-4-3-7-17-9-10/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeyJYZBCFLKHJHHBS-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.53
Rot. Bonds4

About 2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide

2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide (PubChem CID 47298919) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide
PubChem CID47298919
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCOC1)c1ccccc1F
InChIInChI=1S/C12H16FNO3S/c13-11-5-1-2-6-12(11)18(15,16)14-8-10-4-3-7-17-9-10/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeyJYZBCFLKHJHHBS-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.53
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-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide (CID 47298919) is 2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1CCCOC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide?
The InChIKey is JYZBCFLKHJHHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c13-11-5-1-2-6-12(11)18(15,16)14-8-10-4-3-7-17-9-10/h1-2,5-6,10,14H,3-4,7-9H2.
What are the key properties of 2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide?
2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide has a molecular weight of 273.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 47298919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).