2,3-dimethoxypropane-1-sulfonyl chloride

C5H11ClO4S — CID 122164421

IUPAC2,3-dimethoxypropane-1-sulfonyl chloride
SMILESCOCC(CS(=O)(=O)Cl)OC
InChIInChI=1S/C5H11ClO4S/c1-9-3-5(10-2)4-11(6,7)8/h5H,3-4H2,1-2H3
InChIKeyNZRWKUFLBBONMX-UHFFFAOYSA-N
MW202.66 g/mol
LogP0.22
Rot. Bonds5

About 2,3-dimethoxypropane-1-sulfonyl chloride

2,3-dimethoxypropane-1-sulfonyl chloride (PubChem CID 122164421) has the molecular formula C5H11ClO4S and a molecular weight of 202.66 g/mol. Its IUPAC name is 2,3-dimethoxypropane-1-sulfonyl chloride.

Molecular Properties

Compound Name2,3-dimethoxypropane-1-sulfonyl chloride
PubChem CID122164421
Molecular FormulaC5H11ClO4S
Molecular Weight202.66 g/mol
Exact Mass202.01
IUPAC Name2,3-dimethoxypropane-1-sulfonyl chloride
SMILESCOCC(CS(=O)(=O)Cl)OC
InChIInChI=1S/C5H11ClO4S/c1-9-3-5(10-2)4-11(6,7)8/h5H,3-4H2,1-2H3
InChIKeyNZRWKUFLBBONMX-UHFFFAOYSA-N
XLogP0.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxypropane-1-sulfonyl chloride?
The IUPAC name of 2,3-dimethoxypropane-1-sulfonyl chloride (CID 122164421) is 2,3-dimethoxypropane-1-sulfonyl chloride.
What is the SMILES notation for 2,3-dimethoxypropane-1-sulfonyl chloride?
The canonical SMILES for 2,3-dimethoxypropane-1-sulfonyl chloride is COCC(CS(=O)(=O)Cl)OC.
What is the InChIKey of 2,3-dimethoxypropane-1-sulfonyl chloride?
The InChIKey is NZRWKUFLBBONMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO4S/c1-9-3-5(10-2)4-11(6,7)8/h5H,3-4H2,1-2H3.
What are the key properties of 2,3-dimethoxypropane-1-sulfonyl chloride?
2,3-dimethoxypropane-1-sulfonyl chloride has a molecular weight of 202.66 g/mol, XLogP of 0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxypropane-1-sulfonyl chloride is sourced from PubChem (CID 122164421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).