1-Hexadecylsulfonyl Fluoride

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as sulfonyl fluorides. These are compounds containing a sulfonyl (R-S(=O)2-R’) functional group singly bonded to a fluorine atom.

Sulfonyl fluorides

Organic compounds

Organohalogen compounds

Sulfonyl halides

Sulfonyl fluorides

Calculated Property

kind Value Source
logP 7.07 ALOGPS
logS -6 ALOGPS
Water Solubility 3.16e-04 g/l ALOGPS
logP 6.33 ChemAxon
IUPAC Name hexadecane-1-sulfonyl fluoride ChemAxon
Traditional IUPAC Name hexadecylsulfonyl fluoride ChemAxon
Molecular Weight 308.495 ChemAxon
Monoisotopic Weight 308.218529195 ChemAxon
SMILES CCCCCCCCCCCCCCCCS(F)(=O)=O ChemAxon
Molecular Formula C16H33FO2S ChemAxon
InChI InChI=1S/C16H33FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3 ChemAxon
InChIKey InChIKey=QIVFMUVBIHIZAM-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 34.14 ChemAxon
Refractivity 84.68 ChemAxon
Polarizability 38.22 ChemAxon
Rotatable Bond Count 15 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 0 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 0 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Palmitoyl-protein thioesterase 1 : in Human