3-ethylsulfonylpropane-1-sulfonyl chloride

C5H11ClO4S2 — CID 65094375

IUPAC3-ethylsulfonylpropane-1-sulfonyl chloride
SMILESCCS(=O)(=O)CCCS(=O)(=O)Cl
InChIInChI=1S/C5H11ClO4S2/c1-2-11(7,8)4-3-5-12(6,9)10/h2-5H2,1H3
InChIKeyZBHSZEQUPUNISV-UHFFFAOYSA-N
MW234.73 g/mol
LogP0.38
Rot. Bonds5

About 3-ethylsulfonylpropane-1-sulfonyl chloride

3-ethylsulfonylpropane-1-sulfonyl chloride (PubChem CID 65094375) has the molecular formula C5H11ClO4S2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 3-ethylsulfonylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-ethylsulfonylpropane-1-sulfonyl chloride
PubChem CID65094375
Molecular FormulaC5H11ClO4S2
Molecular Weight234.73 g/mol
Exact Mass233.98
IUPAC Name3-ethylsulfonylpropane-1-sulfonyl chloride
SMILESCCS(=O)(=O)CCCS(=O)(=O)Cl
InChIInChI=1S/C5H11ClO4S2/c1-2-11(7,8)4-3-5-12(6,9)10/h2-5H2,1H3
InChIKeyZBHSZEQUPUNISV-UHFFFAOYSA-N
XLogP0.38
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonylpropane-1-sulfonyl chloride?
The IUPAC name of 3-ethylsulfonylpropane-1-sulfonyl chloride (CID 65094375) is 3-ethylsulfonylpropane-1-sulfonyl chloride.
What is the SMILES notation for 3-ethylsulfonylpropane-1-sulfonyl chloride?
The canonical SMILES for 3-ethylsulfonylpropane-1-sulfonyl chloride is CCS(=O)(=O)CCCS(=O)(=O)Cl.
What is the InChIKey of 3-ethylsulfonylpropane-1-sulfonyl chloride?
The InChIKey is ZBHSZEQUPUNISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO4S2/c1-2-11(7,8)4-3-5-12(6,9)10/h2-5H2,1H3.
What are the key properties of 3-ethylsulfonylpropane-1-sulfonyl chloride?
3-ethylsulfonylpropane-1-sulfonyl chloride has a molecular weight of 234.73 g/mol, XLogP of 0.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonylpropane-1-sulfonyl chloride is sourced from PubChem (CID 65094375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).