chlorosulfonyloxymethyl hypochlorite

CH2Cl2O4S — CID 154321458

IUPACchlorosulfonyloxymethyl hypochlorite
SMILESO=S(=O)(Cl)OCOCl
InChIInChI=1S/CH2Cl2O4S/c2-6-1-7-8(3,4)5/h1H2
InChIKeyPJSSUNXXDZHGOR-UHFFFAOYSA-N
MW181.00 g/mol
LogP0.61
Rot. Bonds3

About chlorosulfonyloxymethyl hypochlorite

chlorosulfonyloxymethyl hypochlorite (PubChem CID 154321458) has the molecular formula CH2Cl2O4S and a molecular weight of 181.00 g/mol. Its IUPAC name is chlorosulfonyloxymethyl hypochlorite.

Molecular Properties

Compound Namechlorosulfonyloxymethyl hypochlorite
PubChem CID154321458
Molecular FormulaCH2Cl2O4S
Molecular Weight181.00 g/mol
Exact Mass179.91
IUPAC Namechlorosulfonyloxymethyl hypochlorite
SMILESO=S(=O)(Cl)OCOCl
InChIInChI=1S/CH2Cl2O4S/c2-6-1-7-8(3,4)5/h1H2
InChIKeyPJSSUNXXDZHGOR-UHFFFAOYSA-N
XLogP0.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.00
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze chlorosulfonyloxymethyl hypochlorite 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 chlorosulfonyloxymethyl hypochlorite?
The IUPAC name of chlorosulfonyloxymethyl hypochlorite (CID 154321458) is chlorosulfonyloxymethyl hypochlorite.
What is the SMILES notation for chlorosulfonyloxymethyl hypochlorite?
The canonical SMILES for chlorosulfonyloxymethyl hypochlorite is O=S(=O)(Cl)OCOCl.
What is the InChIKey of chlorosulfonyloxymethyl hypochlorite?
The InChIKey is PJSSUNXXDZHGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2Cl2O4S/c2-6-1-7-8(3,4)5/h1H2.
What are the key properties of chlorosulfonyloxymethyl hypochlorite?
chlorosulfonyloxymethyl hypochlorite has a molecular weight of 181.00 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfonyloxymethyl hypochlorite is sourced from PubChem (CID 154321458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).