hexadecane-1-sulfonyl fluoride

C16H33FO2S — CID 3572

IUPAChexadecane-1-sulfonyl fluoride
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)F
InChIInChI=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
InChIKeyQIVFMUVBIHIZAM-UHFFFAOYSA-N
MW308.50 g/mol
LogP5.77
Rot. Bonds15

About hexadecane-1-sulfonyl fluoride

hexadecane-1-sulfonyl fluoride (PubChem CID 3572) has the molecular formula C16H33FO2S and a molecular weight of 308.50 g/mol. Its IUPAC name is hexadecane-1-sulfonyl fluoride.

Molecular Properties

Compound Namehexadecane-1-sulfonyl fluoride
PubChem CID3572
Molecular FormulaC16H33FO2S
Molecular Weight308.50 g/mol
Exact Mass308.22
IUPAC Namehexadecane-1-sulfonyl fluoride
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)F
InChIInChI=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
InChIKeyQIVFMUVBIHIZAM-UHFFFAOYSA-N
XLogP5.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.50
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze hexadecane-1-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sodium cetylsulfonate
CID 23665769
1-Octanesulfonyl fluoride
CID 162019
1-Hexadecanesulfonyl chloride
CID 96923
Dodecane-1-sulfonyl fluoride
CID 18516661
Ferritin from Horse Spleen
CID 6419224
1-Hexadecanesulfonic acid
CID 14253
Dodecanesulfonate ion
CID 3383616
Stearylsulfonyl fluoride
CID 10131877
Methanesulfonic acid, thio-, S-hexadecyl ester
CID 97458
Octanesulfonic acid, thio-, S-octyl ester
CID 24300
Octadecane-1-sulphonyl chloride
CID 66281
Sodium stearylsulfonate
CID 23668003

Frequently Asked Questions

What is the IUPAC name of hexadecane-1-sulfonyl fluoride?
The IUPAC name of hexadecane-1-sulfonyl fluoride (CID 3572) is hexadecane-1-sulfonyl fluoride.
What is the SMILES notation for hexadecane-1-sulfonyl fluoride?
The canonical SMILES for hexadecane-1-sulfonyl fluoride is CCCCCCCCCCCCCCCCS(=O)(=O)F.
What is the InChIKey of hexadecane-1-sulfonyl fluoride?
The InChIKey is QIVFMUVBIHIZAM-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of hexadecane-1-sulfonyl fluoride?
hexadecane-1-sulfonyl fluoride has a molecular weight of 308.50 g/mol, XLogP of 5.77, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecane-1-sulfonyl fluoride is sourced from PubChem (CID 3572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).