chlorosulfonylmethyl propanoate

C4H7ClO4S — CID 135151225

IUPACchlorosulfonylmethyl propanoate
SMILESCCC(=O)OCS(=O)(=O)Cl
InChIInChI=1S/C4H7ClO4S/c1-2-4(6)9-3-10(5,7)8/h2-3H2,1H3
InChIKeyOXZYAYGRQRLVJK-UHFFFAOYSA-N
MW186.62 g/mol
LogP0.47
Rot. Bonds3

About chlorosulfonylmethyl propanoate

chlorosulfonylmethyl propanoate (PubChem CID 135151225) has the molecular formula C4H7ClO4S and a molecular weight of 186.62 g/mol. Its IUPAC name is chlorosulfonylmethyl propanoate.

Molecular Properties

Compound Namechlorosulfonylmethyl propanoate
PubChem CID135151225
Molecular FormulaC4H7ClO4S
Molecular Weight186.62 g/mol
Exact Mass185.98
IUPAC Namechlorosulfonylmethyl propanoate
SMILESCCC(=O)OCS(=O)(=O)Cl
InChIInChI=1S/C4H7ClO4S/c1-2-4(6)9-3-10(5,7)8/h2-3H2,1H3
InChIKeyOXZYAYGRQRLVJK-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of chlorosulfonylmethyl propanoate?
The IUPAC name of chlorosulfonylmethyl propanoate (CID 135151225) is chlorosulfonylmethyl propanoate.
What is the SMILES notation for chlorosulfonylmethyl propanoate?
The canonical SMILES for chlorosulfonylmethyl propanoate is CCC(=O)OCS(=O)(=O)Cl.
What is the InChIKey of chlorosulfonylmethyl propanoate?
The InChIKey is OXZYAYGRQRLVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO4S/c1-2-4(6)9-3-10(5,7)8/h2-3H2,1H3.
What are the key properties of chlorosulfonylmethyl propanoate?
chlorosulfonylmethyl propanoate has a molecular weight of 186.62 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfonylmethyl propanoate is sourced from PubChem (CID 135151225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).