4-(oxolan-3-ylmethoxy)benzenesulfonyl fluoride

C11H13FO4S — CID 166001005

IUPAC4-(oxolan-3-ylmethoxy)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(OCC2CCOC2)cc1
InChIInChI=1S/C11H13FO4S/c12-17(13,14)11-3-1-10(2-4-11)16-8-9-5-6-15-7-9/h1-4,9H,5-8H2
InChIKeyCJJHFXOAWNFKTK-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.76
Rot. Bonds4

About 4-(oxolan-3-ylmethoxy)benzenesulfonyl fluoride

4-(oxolan-3-ylmethoxy)benzenesulfonyl fluoride (PubChem CID 166001005) has the molecular formula C11H13FO4S and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(oxolan-3-ylmethoxy)benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-(oxolan-3-ylmethoxy)benzenesulfonyl fluoride
PubChem CID166001005
Molecular FormulaC11H13FO4S
Molecular Weight260.29 g/mol
Exact Mass260.05
IUPAC Name4-(oxolan-3-ylmethoxy)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(OCC2CCOC2)cc1
InChIInChI=1S/C11H13FO4S/c12-17(13,14)11-3-1-10(2-4-11)16-8-9-5-6-15-7-9/h1-4,9H,5-8H2
InChIKeyCJJHFXOAWNFKTK-UHFFFAOYSA-N
XLogP1.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(oxolan-3-ylmethoxy)benzenesulfonyl fluoride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-ylmethoxy)benzenesulfonyl fluoride?
The IUPAC name of 4-(oxolan-3-ylmethoxy)benzenesulfonyl fluoride (CID 166001005) is 4-(oxolan-3-ylmethoxy)benzenesulfonyl fluoride.
What is the SMILES notation for 4-(oxolan-3-ylmethoxy)benzenesulfonyl fluoride?
The canonical SMILES for 4-(oxolan-3-ylmethoxy)benzenesulfonyl fluoride is O=S(=O)(F)c1ccc(OCC2CCOC2)cc1.
What is the InChIKey of 4-(oxolan-3-ylmethoxy)benzenesulfonyl fluoride?
The InChIKey is CJJHFXOAWNFKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4S/c12-17(13,14)11-3-1-10(2-4-11)16-8-9-5-6-15-7-9/h1-4,9H,5-8H2.
What are the key properties of 4-(oxolan-3-ylmethoxy)benzenesulfonyl fluoride?
4-(oxolan-3-ylmethoxy)benzenesulfonyl fluoride has a molecular weight of 260.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-ylmethoxy)benzenesulfonyl fluoride is sourced from PubChem (CID 166001005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).