3-chlorosulfonyloxypropanoyl chloride

C3H4Cl2O4S — CID 141367742

IUPAC3-chlorosulfonyloxypropanoyl chloride
SMILESO=C(Cl)CCOS(=O)(=O)Cl
InChIInChI=1S/C3H4Cl2O4S/c4-3(6)1-2-9-10(5,7)8/h1-2H2
InChIKeyWPTAHMBCGUIJCC-UHFFFAOYSA-N
MW207.03 g/mol
LogP0.64
Rot. Bonds4

About 3-chlorosulfonyloxypropanoyl chloride

3-chlorosulfonyloxypropanoyl chloride (PubChem CID 141367742) has the molecular formula C3H4Cl2O4S and a molecular weight of 207.03 g/mol. Its IUPAC name is 3-chlorosulfonyloxypropanoyl chloride.

Molecular Properties

Compound Name3-chlorosulfonyloxypropanoyl chloride
PubChem CID141367742
Molecular FormulaC3H4Cl2O4S
Molecular Weight207.03 g/mol
Exact Mass205.92
IUPAC Name3-chlorosulfonyloxypropanoyl chloride
SMILESO=C(Cl)CCOS(=O)(=O)Cl
InChIInChI=1S/C3H4Cl2O4S/c4-3(6)1-2-9-10(5,7)8/h1-2H2
InChIKeyWPTAHMBCGUIJCC-UHFFFAOYSA-N
XLogP0.64
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.03
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chlorosulfonyloxypropanoyl chloride?
The IUPAC name of 3-chlorosulfonyloxypropanoyl chloride (CID 141367742) is 3-chlorosulfonyloxypropanoyl chloride.
What is the SMILES notation for 3-chlorosulfonyloxypropanoyl chloride?
The canonical SMILES for 3-chlorosulfonyloxypropanoyl chloride is O=C(Cl)CCOS(=O)(=O)Cl.
What is the InChIKey of 3-chlorosulfonyloxypropanoyl chloride?
The InChIKey is WPTAHMBCGUIJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl2O4S/c4-3(6)1-2-9-10(5,7)8/h1-2H2.
What are the key properties of 3-chlorosulfonyloxypropanoyl chloride?
3-chlorosulfonyloxypropanoyl chloride has a molecular weight of 207.03 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorosulfonyloxypropanoyl chloride is sourced from PubChem (CID 141367742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).