bicyclo[3.2.1]octane-2-sulfonyl chloride

C8H13ClO2S — CID 165456077

IUPACbicyclo[3.2.1]octane-2-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CCC2CCC1C2
InChIInChI=1S/C8H13ClO2S/c9-12(10,11)8-4-2-6-1-3-7(8)5-6/h6-8H,1-5H2
InChIKeyHEVOGYAPFYZTOY-UHFFFAOYSA-N
MW208.71 g/mol
LogP2.13
Rot. Bonds1

About bicyclo[3.2.1]octane-2-sulfonyl chloride

bicyclo[3.2.1]octane-2-sulfonyl chloride (PubChem CID 165456077) has the molecular formula C8H13ClO2S and a molecular weight of 208.71 g/mol. Its IUPAC name is bicyclo[3.2.1]octane-2-sulfonyl chloride.

Molecular Properties

Compound Namebicyclo[3.2.1]octane-2-sulfonyl chloride
PubChem CID165456077
Molecular FormulaC8H13ClO2S
Molecular Weight208.71 g/mol
Exact Mass208.03
IUPAC Namebicyclo[3.2.1]octane-2-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CCC2CCC1C2
InChIInChI=1S/C8H13ClO2S/c9-12(10,11)8-4-2-6-1-3-7(8)5-6/h6-8H,1-5H2
InChIKeyHEVOGYAPFYZTOY-UHFFFAOYSA-N
XLogP2.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.71
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.2.1]octane-2-sulfonyl chloride?
The IUPAC name of bicyclo[3.2.1]octane-2-sulfonyl chloride (CID 165456077) is bicyclo[3.2.1]octane-2-sulfonyl chloride.
What is the SMILES notation for bicyclo[3.2.1]octane-2-sulfonyl chloride?
The canonical SMILES for bicyclo[3.2.1]octane-2-sulfonyl chloride is O=S(=O)(Cl)C1CCC2CCC1C2.
What is the InChIKey of bicyclo[3.2.1]octane-2-sulfonyl chloride?
The InChIKey is HEVOGYAPFYZTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO2S/c9-12(10,11)8-4-2-6-1-3-7(8)5-6/h6-8H,1-5H2.
What are the key properties of bicyclo[3.2.1]octane-2-sulfonyl chloride?
bicyclo[3.2.1]octane-2-sulfonyl chloride has a molecular weight of 208.71 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.2.1]octane-2-sulfonyl chloride is sourced from PubChem (CID 165456077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).