ethanesulfonyl chloride

C2H5ClO2S — CID 11667

IUPACethanesulfonyl chloride
SMILESCCS(=O)(=O)Cl
InChIInChI=1S/C2H5ClO2S/c1-2-6(3,4)5/h2H2,1H3
InChIKeyFRYHCSODNHYDPU-UHFFFAOYSA-N
MW128.58 g/mol
LogP0.57
Rot. Bonds1

About ethanesulfonyl chloride

ethanesulfonyl chloride (PubChem CID 11667) has the molecular formula C2H5ClO2S and a molecular weight of 128.58 g/mol. Its IUPAC name is ethanesulfonyl chloride.

Molecular Properties

Compound Nameethanesulfonyl chloride
PubChem CID11667
Molecular FormulaC2H5ClO2S
Molecular Weight128.58 g/mol
Exact Mass127.97
IUPAC Nameethanesulfonyl chloride
SMILESCCS(=O)(=O)Cl
InChIInChI=1S/C2H5ClO2S/c1-2-6(3,4)5/h2H2,1H3
InChIKeyFRYHCSODNHYDPU-UHFFFAOYSA-N
XLogP0.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.58
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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

Related Compounds

Ethanesulfonic acid
CID 11668
1-Butanesulfonyl chloride
CID 75430
2-Propanesulfonyl chloride
CID 82408
1-Propanesulfonyl chloride
CID 66279
Ethanesulfonate
CID 3717105
Sodium ethanesulphonate
CID 4192170
Ethanesulfonyl chloride, 2-fluoro-
CID 69806
Ethanesulfonyl fluoride
CID 522584
Butane-2-sulfonyl chloride
CID 2757336
Sodium propanesulphonate
CID 4319363
1-Methylsulfanylsulfonylethane
CID 485593
2-Propanesulfonic acid, sodium salt (1:1)
CID 4992759

Frequently Asked Questions

What is the IUPAC name of ethanesulfonyl chloride?
The IUPAC name of ethanesulfonyl chloride (CID 11667) is ethanesulfonyl chloride.
What is the SMILES notation for ethanesulfonyl chloride?
The canonical SMILES for ethanesulfonyl chloride is CCS(=O)(=O)Cl.
What is the InChIKey of ethanesulfonyl chloride?
The InChIKey is FRYHCSODNHYDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClO2S/c1-2-6(3,4)5/h2H2,1H3.
What are the key properties of ethanesulfonyl chloride?
ethanesulfonyl chloride has a molecular weight of 128.58 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanesulfonyl chloride is sourced from PubChem (CID 11667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).