2-phenoxyethanesulfonyl chloride

C8H9ClO3S — CID 6486628

IUPAC2-phenoxyethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCOc1ccccc1
InChIInChI=1S/C8H9ClO3S/c9-13(10,11)7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyISBGBCOJYLFKKE-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.63
Rot. Bonds4

About 2-phenoxyethanesulfonyl chloride

2-phenoxyethanesulfonyl chloride (PubChem CID 6486628) has the molecular formula C8H9ClO3S and a molecular weight of 220.68 g/mol. Its IUPAC name is 2-phenoxyethanesulfonyl chloride.

Molecular Properties

Compound Name2-phenoxyethanesulfonyl chloride
PubChem CID6486628
Molecular FormulaC8H9ClO3S
Molecular Weight220.68 g/mol
Exact Mass220.00
IUPAC Name2-phenoxyethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCOc1ccccc1
InChIInChI=1S/C8H9ClO3S/c9-13(10,11)7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyISBGBCOJYLFKKE-UHFFFAOYSA-N
XLogP1.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenoxyethanesulfonyl 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 2-phenoxyethanesulfonyl chloride?
The IUPAC name of 2-phenoxyethanesulfonyl chloride (CID 6486628) is 2-phenoxyethanesulfonyl chloride.
What is the SMILES notation for 2-phenoxyethanesulfonyl chloride?
The canonical SMILES for 2-phenoxyethanesulfonyl chloride is O=S(=O)(Cl)CCOc1ccccc1.
What is the InChIKey of 2-phenoxyethanesulfonyl chloride?
The InChIKey is ISBGBCOJYLFKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO3S/c9-13(10,11)7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 2-phenoxyethanesulfonyl chloride?
2-phenoxyethanesulfonyl chloride has a molecular weight of 220.68 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethanesulfonyl chloride is sourced from PubChem (CID 6486628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).