ethyl 4-chlorosulfonylbutanoate

C6H11ClO4S — CID 43142305

IUPACethyl 4-chlorosulfonylbutanoate
SMILESCCOC(=O)CCCS(=O)(=O)Cl
InChIInChI=1S/C6H11ClO4S/c1-2-11-6(8)4-3-5-12(7,9)10/h2-5H2,1H3
InChIKeyWATIBNFNUAUDJJ-UHFFFAOYSA-N
MW214.67 g/mol
LogP0.90
Rot. Bonds5

About ethyl 4-chlorosulfonylbutanoate

ethyl 4-chlorosulfonylbutanoate (PubChem CID 43142305) has the molecular formula C6H11ClO4S and a molecular weight of 214.67 g/mol. Its IUPAC name is ethyl 4-chlorosulfonylbutanoate.

Molecular Properties

Compound Nameethyl 4-chlorosulfonylbutanoate
PubChem CID43142305
Molecular FormulaC6H11ClO4S
Molecular Weight214.67 g/mol
Exact Mass214.01
IUPAC Nameethyl 4-chlorosulfonylbutanoate
SMILESCCOC(=O)CCCS(=O)(=O)Cl
InChIInChI=1S/C6H11ClO4S/c1-2-11-6(8)4-3-5-12(7,9)10/h2-5H2,1H3
InChIKeyWATIBNFNUAUDJJ-UHFFFAOYSA-N
XLogP0.90
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chlorosulfonylbutanoate?
The IUPAC name of ethyl 4-chlorosulfonylbutanoate (CID 43142305) is ethyl 4-chlorosulfonylbutanoate.
What is the SMILES notation for ethyl 4-chlorosulfonylbutanoate?
The canonical SMILES for ethyl 4-chlorosulfonylbutanoate is CCOC(=O)CCCS(=O)(=O)Cl.
What is the InChIKey of ethyl 4-chlorosulfonylbutanoate?
The InChIKey is WATIBNFNUAUDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO4S/c1-2-11-6(8)4-3-5-12(7,9)10/h2-5H2,1H3.
What are the key properties of ethyl 4-chlorosulfonylbutanoate?
ethyl 4-chlorosulfonylbutanoate has a molecular weight of 214.67 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chlorosulfonylbutanoate is sourced from PubChem (CID 43142305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).