2-hydroxyethanesulfonyl chloride

C2H5ClO3S — CID 13138998

IUPAC2-hydroxyethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCO
InChIInChI=1S/C2H5ClO3S/c3-7(5,6)2-1-4/h4H,1-2H2
InChIKeyLRMHQHUZLWXMEQ-UHFFFAOYSA-N
MW144.58 g/mol
LogP-0.45
Rot. Bonds2

About 2-hydroxyethanesulfonyl chloride

2-hydroxyethanesulfonyl chloride (PubChem CID 13138998) has the molecular formula C2H5ClO3S and a molecular weight of 144.58 g/mol. Its IUPAC name is 2-hydroxyethanesulfonyl chloride.

Molecular Properties

Compound Name2-hydroxyethanesulfonyl chloride
PubChem CID13138998
Molecular FormulaC2H5ClO3S
Molecular Weight144.58 g/mol
Exact Mass143.96
IUPAC Name2-hydroxyethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCO
InChIInChI=1S/C2H5ClO3S/c3-7(5,6)2-1-4/h4H,1-2H2
InChIKeyLRMHQHUZLWXMEQ-UHFFFAOYSA-N
XLogP-0.45
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.58
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxyethanesulfonyl 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

Isethionic Acid
CID 7866
Sodium Isethionate
CID 517063
Acetaldehyde sodium bisulfite
CID 23683752
Isethionate
CID 3955599
Ethanesulfonic acid, 2-hydroxy-, potassium salt (1:1)
CID 23689117
Isethionic acid amide
CID 20504590
Ethanesulfonic acid, 2-hydroxy-, methyl ester
CID 149898
(1R)-1-hydroxyethanesulfonic acid
CID 76957335
Acetaldehyde hydroxysulfonate
CID 13516
Isethinic acid
CID 194110
Sodium 1-hydroxyethanesulphinate
CID 23663639
Isethionate-water
CID 87428479

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethanesulfonyl chloride?
The IUPAC name of 2-hydroxyethanesulfonyl chloride (CID 13138998) is 2-hydroxyethanesulfonyl chloride.
What is the SMILES notation for 2-hydroxyethanesulfonyl chloride?
The canonical SMILES for 2-hydroxyethanesulfonyl chloride is O=S(=O)(Cl)CCO.
What is the InChIKey of 2-hydroxyethanesulfonyl chloride?
The InChIKey is LRMHQHUZLWXMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClO3S/c3-7(5,6)2-1-4/h4H,1-2H2.
What are the key properties of 2-hydroxyethanesulfonyl chloride?
2-hydroxyethanesulfonyl chloride has a molecular weight of 144.58 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethanesulfonyl chloride is sourced from PubChem (CID 13138998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).