1-phenoxyethanesulfonyl chloride

C8H9ClO3S — CID 18351740

IUPAC1-phenoxyethanesulfonyl chloride
SMILESCC(Oc1ccccc1)S(=O)(=O)Cl
InChIInChI=1S/C8H9ClO3S/c1-7(13(9,10)11)12-8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyAIJHPHDOGXZKFW-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.98
Rot. Bonds3

About 1-phenoxyethanesulfonyl chloride

1-phenoxyethanesulfonyl chloride (PubChem CID 18351740) has the molecular formula C8H9ClO3S and a molecular weight of 220.68 g/mol. Its IUPAC name is 1-phenoxyethanesulfonyl chloride.

Molecular Properties

Compound Name1-phenoxyethanesulfonyl chloride
PubChem CID18351740
Molecular FormulaC8H9ClO3S
Molecular Weight220.68 g/mol
Exact Mass220.00
IUPAC Name1-phenoxyethanesulfonyl chloride
SMILESCC(Oc1ccccc1)S(=O)(=O)Cl
InChIInChI=1S/C8H9ClO3S/c1-7(13(9,10)11)12-8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyAIJHPHDOGXZKFW-UHFFFAOYSA-N
XLogP1.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-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

Related Compounds

1-(1-phenoxyethylperoxy)ethoxybenzene
CID 175523991
magnesium;1-phenoxyethanol;sulfate
CID 159781449
anisole;methanesulfonyl chloride
CID 162217178
1,2-dichloropropoxybenzene
CID 118151210
chloro-ethylidene-oxo-phenoxy-λ6-sulfane
CID 87536357
[(1R)-1-fluoroethoxy]benzene
CID 175733278
1-phenoxyethanol
CID 66611531
1-methoxyethoxybenzene
CID 18188895
propan-2-yl formate;propan-2-yloxybenzene
CID 175545424
chloroform;1-phenoxyethanol
CID 160851082
diphenoxymethylsulfonylphosphane
CID 175034899
4-chloro-2-methyl-4-phenoxybutanoic acid
CID 70522058

Frequently Asked Questions

What is the IUPAC name of 1-phenoxyethanesulfonyl chloride?
The IUPAC name of 1-phenoxyethanesulfonyl chloride (CID 18351740) is 1-phenoxyethanesulfonyl chloride.
What is the SMILES notation for 1-phenoxyethanesulfonyl chloride?
The canonical SMILES for 1-phenoxyethanesulfonyl chloride is CC(Oc1ccccc1)S(=O)(=O)Cl.
What is the InChIKey of 1-phenoxyethanesulfonyl chloride?
The InChIKey is AIJHPHDOGXZKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO3S/c1-7(13(9,10)11)12-8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 1-phenoxyethanesulfonyl chloride?
1-phenoxyethanesulfonyl chloride has a molecular weight of 220.68 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxyethanesulfonyl chloride is sourced from PubChem (CID 18351740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).