3-methylsulfonylpropane-1-sulfonyl chloride

C4H9ClO4S2 — CID 50989327

IUPAC3-methylsulfonylpropane-1-sulfonyl chloride
SMILESCS(=O)(=O)CCCS(=O)(=O)Cl
InChIInChI=1S/C4H9ClO4S2/c1-10(6,7)3-2-4-11(5,8)9/h2-4H2,1H3
InChIKeyRHDSTZIBQYMBDV-UHFFFAOYSA-N
MW220.70 g/mol
LogP-0.01
Rot. Bonds4

About 3-methylsulfonylpropane-1-sulfonyl chloride

3-methylsulfonylpropane-1-sulfonyl chloride (PubChem CID 50989327) has the molecular formula C4H9ClO4S2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 3-methylsulfonylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-methylsulfonylpropane-1-sulfonyl chloride
PubChem CID50989327
Molecular FormulaC4H9ClO4S2
Molecular Weight220.70 g/mol
Exact Mass219.96
IUPAC Name3-methylsulfonylpropane-1-sulfonyl chloride
SMILESCS(=O)(=O)CCCS(=O)(=O)Cl
InChIInChI=1S/C4H9ClO4S2/c1-10(6,7)3-2-4-11(5,8)9/h2-4H2,1H3
InChIKeyRHDSTZIBQYMBDV-UHFFFAOYSA-N
XLogP-0.01
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methylsulfonylpropane-1-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 3-methylsulfonylpropane-1-sulfonyl chloride?
The IUPAC name of 3-methylsulfonylpropane-1-sulfonyl chloride (CID 50989327) is 3-methylsulfonylpropane-1-sulfonyl chloride.
What is the SMILES notation for 3-methylsulfonylpropane-1-sulfonyl chloride?
The canonical SMILES for 3-methylsulfonylpropane-1-sulfonyl chloride is CS(=O)(=O)CCCS(=O)(=O)Cl.
What is the InChIKey of 3-methylsulfonylpropane-1-sulfonyl chloride?
The InChIKey is RHDSTZIBQYMBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClO4S2/c1-10(6,7)3-2-4-11(5,8)9/h2-4H2,1H3.
What are the key properties of 3-methylsulfonylpropane-1-sulfonyl chloride?
3-methylsulfonylpropane-1-sulfonyl chloride has a molecular weight of 220.70 g/mol, XLogP of -0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylpropane-1-sulfonyl chloride is sourced from PubChem (CID 50989327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).