ethyl 2-chlorosulfonyloxypropanoate

C5H9ClO5S — CID 22404718

IUPACethyl 2-chlorosulfonyloxypropanoate
SMILESCCOC(=O)C(C)OS(=O)(=O)Cl
InChIInChI=1S/C5H9ClO5S/c1-3-10-5(7)4(2)11-12(6,8)9/h4H,3H2,1-2H3
InChIKeyKPONZKAWZSMLQR-UHFFFAOYSA-N
MW216.64 g/mol
LogP0.44
Rot. Bonds4

About ethyl 2-chlorosulfonyloxypropanoate

ethyl 2-chlorosulfonyloxypropanoate (PubChem CID 22404718) has the molecular formula C5H9ClO5S and a molecular weight of 216.64 g/mol. Its IUPAC name is ethyl 2-chlorosulfonyloxypropanoate.

Molecular Properties

Compound Nameethyl 2-chlorosulfonyloxypropanoate
PubChem CID22404718
Molecular FormulaC5H9ClO5S
Molecular Weight216.64 g/mol
Exact Mass215.99
IUPAC Nameethyl 2-chlorosulfonyloxypropanoate
SMILESCCOC(=O)C(C)OS(=O)(=O)Cl
InChIInChI=1S/C5H9ClO5S/c1-3-10-5(7)4(2)11-12(6,8)9/h4H,3H2,1-2H3
InChIKeyKPONZKAWZSMLQR-UHFFFAOYSA-N
XLogP0.44
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
ethyl 3-chlorosulfonyloxy-2,2-dimethylbutanoate
CID 135339215
ethyl 2-(4-methylphenyl)sulfonyloxypropanoate
CID 562846
ethyl 2-methoxycarbonyloxypropanoate
CID 14620012
ethyl (2S)-2-methylsulfonylpropanoate
CID 93493008
ethyl (2S)-3-acetamido-2-methylpropanoate
CID 15606037
ethyl 2-amino-3-chlorosulfonylpropanoate
CID 174463001
ethyl (3R)-3-chlorosulfonylbutanoate
CID 124537429
pentyl (2R)-2-(chloromethylsulfonyloxy)propanoate
CID 139966318
hexyl (2R)-2-(chloromethylsulfonyloxy)propanoate
CID 139966314
octyl (2R)-2-sulfooxypropanoate
CID 129387074
diethyl 2-methylpropanedioate;zirconium
CID 174876844

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chlorosulfonyloxypropanoate?
The IUPAC name of ethyl 2-chlorosulfonyloxypropanoate (CID 22404718) is ethyl 2-chlorosulfonyloxypropanoate.
What is the SMILES notation for ethyl 2-chlorosulfonyloxypropanoate?
The canonical SMILES for ethyl 2-chlorosulfonyloxypropanoate is CCOC(=O)C(C)OS(=O)(=O)Cl.
What is the InChIKey of ethyl 2-chlorosulfonyloxypropanoate?
The InChIKey is KPONZKAWZSMLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO5S/c1-3-10-5(7)4(2)11-12(6,8)9/h4H,3H2,1-2H3.
What are the key properties of ethyl 2-chlorosulfonyloxypropanoate?
ethyl 2-chlorosulfonyloxypropanoate has a molecular weight of 216.64 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chlorosulfonyloxypropanoate is sourced from PubChem (CID 22404718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).