1,3-dimethoxypropane-2-sulfonyl chloride

C5H11ClO4S — CID 122163174

IUPAC1,3-dimethoxypropane-2-sulfonyl chloride
SMILESCOCC(COC)S(=O)(=O)Cl
InChIInChI=1S/C5H11ClO4S/c1-9-3-5(4-10-2)11(6,7)8/h5H,3-4H2,1-2H3
InChIKeyVZVKVKCMRJRKDC-UHFFFAOYSA-N
MW202.66 g/mol
LogP0.22
Rot. Bonds5

About 1,3-dimethoxypropane-2-sulfonyl chloride

1,3-dimethoxypropane-2-sulfonyl chloride (PubChem CID 122163174) has the molecular formula C5H11ClO4S and a molecular weight of 202.66 g/mol. Its IUPAC name is 1,3-dimethoxypropane-2-sulfonyl chloride.

Molecular Properties

Compound Name1,3-dimethoxypropane-2-sulfonyl chloride
PubChem CID122163174
Molecular FormulaC5H11ClO4S
Molecular Weight202.66 g/mol
Exact Mass202.01
IUPAC Name1,3-dimethoxypropane-2-sulfonyl chloride
SMILESCOCC(COC)S(=O)(=O)Cl
InChIInChI=1S/C5H11ClO4S/c1-9-3-5(4-10-2)11(6,7)8/h5H,3-4H2,1-2H3
InChIKeyVZVKVKCMRJRKDC-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

Analyze 1,3-dimethoxypropane-2-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxypropane-2-sulfonyl chloride?
The IUPAC name of 1,3-dimethoxypropane-2-sulfonyl chloride (CID 122163174) is 1,3-dimethoxypropane-2-sulfonyl chloride.
What is the SMILES notation for 1,3-dimethoxypropane-2-sulfonyl chloride?
The canonical SMILES for 1,3-dimethoxypropane-2-sulfonyl chloride is COCC(COC)S(=O)(=O)Cl.
What is the InChIKey of 1,3-dimethoxypropane-2-sulfonyl chloride?
The InChIKey is VZVKVKCMRJRKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO4S/c1-9-3-5(4-10-2)11(6,7)8/h5H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethoxypropane-2-sulfonyl chloride?
1,3-dimethoxypropane-2-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 1,3-dimethoxypropane-2-sulfonyl chloride is sourced from PubChem (CID 122163174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).