2-(4-chlorophenyl)ethanesulfonyl chloride

C8H8Cl2O2S — CID 2757780

IUPAC2-(4-chlorophenyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1ccc(Cl)cc1
InChIInChI=1S/C8H8Cl2O2S/c9-8-3-1-7(2-4-8)5-6-13(10,11)12/h1-4H,5-6H2
InChIKeyRDLOYHZHKDCZHO-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.45
Rot. Bonds3

About 2-(4-chlorophenyl)ethanesulfonyl chloride

2-(4-chlorophenyl)ethanesulfonyl chloride (PubChem CID 2757780) has the molecular formula C8H8Cl2O2S and a molecular weight of 239.12 g/mol. Its IUPAC name is 2-(4-chlorophenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)ethanesulfonyl chloride
PubChem CID2757780
Molecular FormulaC8H8Cl2O2S
Molecular Weight239.12 g/mol
Exact Mass237.96
IUPAC Name2-(4-chlorophenyl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1ccc(Cl)cc1
InChIInChI=1S/C8H8Cl2O2S/c9-8-3-1-7(2-4-8)5-6-13(10,11)12/h1-4H,5-6H2
InChIKeyRDLOYHZHKDCZHO-UHFFFAOYSA-N
XLogP2.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)ethanesulfonyl 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-(4-chlorophenyl)ethanesulfonyl chloride?
The IUPAC name of 2-(4-chlorophenyl)ethanesulfonyl chloride (CID 2757780) is 2-(4-chlorophenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(4-chlorophenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(4-chlorophenyl)ethanesulfonyl chloride is O=S(=O)(Cl)CCc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)ethanesulfonyl chloride?
The InChIKey is RDLOYHZHKDCZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O2S/c9-8-3-1-7(2-4-8)5-6-13(10,11)12/h1-4H,5-6H2.
What are the key properties of 2-(4-chlorophenyl)ethanesulfonyl chloride?
2-(4-chlorophenyl)ethanesulfonyl chloride has a molecular weight of 239.12 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)ethanesulfonyl chloride is sourced from PubChem (CID 2757780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).