3-ethoxycyclobutane-1-sulfonyl chloride

C6H11ClO3S — CID 106824050

IUPAC3-ethoxycyclobutane-1-sulfonyl chloride
SMILESCCOC1CC(S(=O)(=O)Cl)C1
InChIInChI=1S/C6H11ClO3S/c1-2-10-5-3-6(4-5)11(7,8)9/h5-6H,2-4H2,1H3
InChIKeyABPRRUMOGZJVCQ-UHFFFAOYSA-N
MW198.67 g/mol
LogP1.12
Rot. Bonds3

About 3-ethoxycyclobutane-1-sulfonyl chloride

3-ethoxycyclobutane-1-sulfonyl chloride (PubChem CID 106824050) has the molecular formula C6H11ClO3S and a molecular weight of 198.67 g/mol. Its IUPAC name is 3-ethoxycyclobutane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-ethoxycyclobutane-1-sulfonyl chloride
PubChem CID106824050
Molecular FormulaC6H11ClO3S
Molecular Weight198.67 g/mol
Exact Mass198.01
IUPAC Name3-ethoxycyclobutane-1-sulfonyl chloride
SMILESCCOC1CC(S(=O)(=O)Cl)C1
InChIInChI=1S/C6H11ClO3S/c1-2-10-5-3-6(4-5)11(7,8)9/h5-6H,2-4H2,1H3
InChIKeyABPRRUMOGZJVCQ-UHFFFAOYSA-N
XLogP1.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxycyclobutane-1-sulfonyl chloride?
The IUPAC name of 3-ethoxycyclobutane-1-sulfonyl chloride (CID 106824050) is 3-ethoxycyclobutane-1-sulfonyl chloride.
What is the SMILES notation for 3-ethoxycyclobutane-1-sulfonyl chloride?
The canonical SMILES for 3-ethoxycyclobutane-1-sulfonyl chloride is CCOC1CC(S(=O)(=O)Cl)C1.
What is the InChIKey of 3-ethoxycyclobutane-1-sulfonyl chloride?
The InChIKey is ABPRRUMOGZJVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO3S/c1-2-10-5-3-6(4-5)11(7,8)9/h5-6H,2-4H2,1H3.
What are the key properties of 3-ethoxycyclobutane-1-sulfonyl chloride?
3-ethoxycyclobutane-1-sulfonyl chloride has a molecular weight of 198.67 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxycyclobutane-1-sulfonyl chloride is sourced from PubChem (CID 106824050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).