4-[(3-fluorooxolan-3-yl)methyl]benzenesulfonyl chloride

C11H12ClFO3S — CID 84730358

IUPAC4-[(3-fluorooxolan-3-yl)methyl]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(CC2(F)CCOC2)cc1
InChIInChI=1S/C11H12ClFO3S/c12-17(14,15)10-3-1-9(2-4-10)7-11(13)5-6-16-8-11/h1-4H,5-8H2
InChIKeySKKNOTUHQGYMGE-UHFFFAOYSA-N
MW278.73 g/mol
LogP2.29
Rot. Bonds3

About 4-[(3-fluorooxolan-3-yl)methyl]benzenesulfonyl chloride

4-[(3-fluorooxolan-3-yl)methyl]benzenesulfonyl chloride (PubChem CID 84730358) has the molecular formula C11H12ClFO3S and a molecular weight of 278.73 g/mol. Its IUPAC name is 4-[(3-fluorooxolan-3-yl)methyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(3-fluorooxolan-3-yl)methyl]benzenesulfonyl chloride
PubChem CID84730358
Molecular FormulaC11H12ClFO3S
Molecular Weight278.73 g/mol
Exact Mass278.02
IUPAC Name4-[(3-fluorooxolan-3-yl)methyl]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(CC2(F)CCOC2)cc1
InChIInChI=1S/C11H12ClFO3S/c12-17(14,15)10-3-1-9(2-4-10)7-11(13)5-6-16-8-11/h1-4H,5-8H2
InChIKeySKKNOTUHQGYMGE-UHFFFAOYSA-N
XLogP2.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.73
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(3-fluorooxolan-3-yl)methyl]benzenesulfonyl chloride 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-[(3-fluorooxolan-3-yl)methyl]benzenesulfonyl chloride?
The IUPAC name of 4-[(3-fluorooxolan-3-yl)methyl]benzenesulfonyl chloride (CID 84730358) is 4-[(3-fluorooxolan-3-yl)methyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(3-fluorooxolan-3-yl)methyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[(3-fluorooxolan-3-yl)methyl]benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(CC2(F)CCOC2)cc1.
What is the InChIKey of 4-[(3-fluorooxolan-3-yl)methyl]benzenesulfonyl chloride?
The InChIKey is SKKNOTUHQGYMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO3S/c12-17(14,15)10-3-1-9(2-4-10)7-11(13)5-6-16-8-11/h1-4H,5-8H2.
What are the key properties of 4-[(3-fluorooxolan-3-yl)methyl]benzenesulfonyl chloride?
4-[(3-fluorooxolan-3-yl)methyl]benzenesulfonyl chloride has a molecular weight of 278.73 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorooxolan-3-yl)methyl]benzenesulfonyl chloride is sourced from PubChem (CID 84730358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).