pentane-1-sulfonyl fluoride

C5H11FO2S — CID 22935878

IUPACpentane-1-sulfonyl fluoride
SMILESCCCCCS(=O)(=O)F
InChIInChI=1S/C5H11FO2S/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3
InChIKeyRUNURMQWHBKAIK-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.48
Rot. Bonds4

About pentane-1-sulfonyl fluoride

pentane-1-sulfonyl fluoride (PubChem CID 22935878) has the molecular formula C5H11FO2S and a molecular weight of 154.21 g/mol. Its IUPAC name is pentane-1-sulfonyl fluoride.

Molecular Properties

Compound Namepentane-1-sulfonyl fluoride
PubChem CID22935878
Molecular FormulaC5H11FO2S
Molecular Weight154.21 g/mol
Exact Mass154.05
IUPAC Namepentane-1-sulfonyl fluoride
SMILESCCCCCS(=O)(=O)F
InChIInChI=1S/C5H11FO2S/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3
InChIKeyRUNURMQWHBKAIK-UHFFFAOYSA-N
XLogP1.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze pentane-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

1-Pentanesulfonic acid, sodium salt
CID 23664617
Butane-1-sulfonate
CID 3704751
1-Butanesulfonyl fluoride
CID 12615
1-Pentanesulfonyl chloride
CID 237555
1-Hexanesulfonyl fluoride
CID 103340
Hexanesulfonyl fluoride, 6-fluoro-
CID 9748
Pentanesulfonyl fluoride, 5-fluoro-
CID 67797
Cyclohexanesulfonyl fluoride
CID 222491
Pentane-2-sulfonyl chloride
CID 2760314
Pentane-3-sulfonyl chloride
CID 20481917
Propane-1-sulfonyl fluoride
CID 13721938
2-Methylbutane-1-sulfonyl fluoride
CID 22935853

Frequently Asked Questions

What is the IUPAC name of pentane-1-sulfonyl fluoride?
The IUPAC name of pentane-1-sulfonyl fluoride (CID 22935878) is pentane-1-sulfonyl fluoride.
What is the SMILES notation for pentane-1-sulfonyl fluoride?
The canonical SMILES for pentane-1-sulfonyl fluoride is CCCCCS(=O)(=O)F.
What is the InChIKey of pentane-1-sulfonyl fluoride?
The InChIKey is RUNURMQWHBKAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO2S/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3.
What are the key properties of pentane-1-sulfonyl fluoride?
pentane-1-sulfonyl fluoride has a molecular weight of 154.21 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-1-sulfonyl fluoride is sourced from PubChem (CID 22935878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).