methyl 3-chlorosulfonylpropanoate

C4H7ClO4S — CID 4962888

IUPACmethyl 3-chlorosulfonylpropanoate
SMILESCOC(=O)CCS(=O)(=O)Cl
InChIInChI=1S/C4H7ClO4S/c1-9-4(6)2-3-10(5,7)8/h2-3H2,1H3
InChIKeyLWJZGJNMJBUUMC-UHFFFAOYSA-N
MW186.62 g/mol
LogP0.12
Rot. Bonds3

About methyl 3-chlorosulfonylpropanoate

methyl 3-chlorosulfonylpropanoate (PubChem CID 4962888) has the molecular formula C4H7ClO4S and a molecular weight of 186.62 g/mol. Its IUPAC name is methyl 3-chlorosulfonylpropanoate.

Molecular Properties

Compound Namemethyl 3-chlorosulfonylpropanoate
PubChem CID4962888
Molecular FormulaC4H7ClO4S
Molecular Weight186.62 g/mol
Exact Mass185.98
IUPAC Namemethyl 3-chlorosulfonylpropanoate
SMILESCOC(=O)CCS(=O)(=O)Cl
InChIInChI=1S/C4H7ClO4S/c1-9-4(6)2-3-10(5,7)8/h2-3H2,1H3
InChIKeyLWJZGJNMJBUUMC-UHFFFAOYSA-N
XLogP0.12
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl (chlorosulfonyl)acetate
CID 11435213
Methyl 3-(methylsulfonyl)propanoate
CID 5744053
Methyl 4-(chlorosulfonyl)butanoate
CID 10608119
Ethyl (chlorosulfonyl)acetate
CID 12225100
Sodium 1-Methyl 3-Sulfinopropionate
CID 23665669
Methyl 3-sulfamoylpropanoate
CID 16787339
Sodium 3-methoxy-3-oxopropane-1-sulfonate
CID 57659405
Ethyl 3-(ethoxysulfinyl)propanoate
CID 3064500
Ethyl 3-(chlorosulfonyl)propanoate
CID 4128467
3-(Chlorosulfonyl)propyl acetate
CID 10584211
Methyl 2-methanesulfonylpropanoate
CID 12007536
Methyl 2-(chlorosulfonyl)propanoate
CID 12225101

Frequently Asked Questions

What is the IUPAC name of methyl 3-chlorosulfonylpropanoate?
The IUPAC name of methyl 3-chlorosulfonylpropanoate (CID 4962888) is methyl 3-chlorosulfonylpropanoate.
What is the SMILES notation for methyl 3-chlorosulfonylpropanoate?
The canonical SMILES for methyl 3-chlorosulfonylpropanoate is COC(=O)CCS(=O)(=O)Cl.
What is the InChIKey of methyl 3-chlorosulfonylpropanoate?
The InChIKey is LWJZGJNMJBUUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO4S/c1-9-4(6)2-3-10(5,7)8/h2-3H2,1H3.
What are the key properties of methyl 3-chlorosulfonylpropanoate?
methyl 3-chlorosulfonylpropanoate has a molecular weight of 186.62 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chlorosulfonylpropanoate is sourced from PubChem (CID 4962888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).