3-chlorosulfonylpropane-1-sulfonyl fluoride

C3H6ClFO4S2 — CID 75480773

IUPAC3-chlorosulfonylpropane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCS(=O)(=O)Cl
InChIInChI=1S/C3H6ClFO4S2/c4-10(6,7)2-1-3-11(5,8)9/h1-3H2
InChIKeyQYMPXFWYIPVYNF-UHFFFAOYSA-N
MW224.66 g/mol
LogP0.24
Rot. Bonds4

About 3-chlorosulfonylpropane-1-sulfonyl fluoride

3-chlorosulfonylpropane-1-sulfonyl fluoride (PubChem CID 75480773) has the molecular formula C3H6ClFO4S2 and a molecular weight of 224.66 g/mol. Its IUPAC name is 3-chlorosulfonylpropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-chlorosulfonylpropane-1-sulfonyl fluoride
PubChem CID75480773
Molecular FormulaC3H6ClFO4S2
Molecular Weight224.66 g/mol
Exact Mass223.94
IUPAC Name3-chlorosulfonylpropane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCS(=O)(=O)Cl
InChIInChI=1S/C3H6ClFO4S2/c4-10(6,7)2-1-3-11(5,8)9/h1-3H2
InChIKeyQYMPXFWYIPVYNF-UHFFFAOYSA-N
XLogP0.24
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.66
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chlorosulfonylpropane-1-sulfonyl fluoride?
The IUPAC name of 3-chlorosulfonylpropane-1-sulfonyl fluoride (CID 75480773) is 3-chlorosulfonylpropane-1-sulfonyl fluoride.
What is the SMILES notation for 3-chlorosulfonylpropane-1-sulfonyl fluoride?
The canonical SMILES for 3-chlorosulfonylpropane-1-sulfonyl fluoride is O=S(=O)(F)CCCS(=O)(=O)Cl.
What is the InChIKey of 3-chlorosulfonylpropane-1-sulfonyl fluoride?
The InChIKey is QYMPXFWYIPVYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClFO4S2/c4-10(6,7)2-1-3-11(5,8)9/h1-3H2.
What are the key properties of 3-chlorosulfonylpropane-1-sulfonyl fluoride?
3-chlorosulfonylpropane-1-sulfonyl fluoride has a molecular weight of 224.66 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorosulfonylpropane-1-sulfonyl fluoride is sourced from PubChem (CID 75480773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).