spiro[2.5]octane-7-sulfonyl chloride

C8H13ClO2S — CID 165446788

IUPACspiro[2.5]octane-7-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CCCC2(CC2)C1
InChIInChI=1S/C8H13ClO2S/c9-12(10,11)7-2-1-3-8(6-7)4-5-8/h7H,1-6H2
InChIKeyNURLURXXLYCPLK-UHFFFAOYSA-N
MW208.71 g/mol
LogP2.28
Rot. Bonds1

About spiro[2.5]octane-7-sulfonyl chloride

spiro[2.5]octane-7-sulfonyl chloride (PubChem CID 165446788) has the molecular formula C8H13ClO2S and a molecular weight of 208.71 g/mol. Its IUPAC name is spiro[2.5]octane-7-sulfonyl chloride.

Molecular Properties

Compound Namespiro[2.5]octane-7-sulfonyl chloride
PubChem CID165446788
Molecular FormulaC8H13ClO2S
Molecular Weight208.71 g/mol
Exact Mass208.03
IUPAC Namespiro[2.5]octane-7-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CCCC2(CC2)C1
InChIInChI=1S/C8H13ClO2S/c9-12(10,11)7-2-1-3-8(6-7)4-5-8/h7H,1-6H2
InChIKeyNURLURXXLYCPLK-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[2.5]octane-7-sulfonyl chloride?
The IUPAC name of spiro[2.5]octane-7-sulfonyl chloride (CID 165446788) is spiro[2.5]octane-7-sulfonyl chloride.
What is the SMILES notation for spiro[2.5]octane-7-sulfonyl chloride?
The canonical SMILES for spiro[2.5]octane-7-sulfonyl chloride is O=S(=O)(Cl)C1CCCC2(CC2)C1.
What is the InChIKey of spiro[2.5]octane-7-sulfonyl chloride?
The InChIKey is NURLURXXLYCPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO2S/c9-12(10,11)7-2-1-3-8(6-7)4-5-8/h7H,1-6H2.
What are the key properties of spiro[2.5]octane-7-sulfonyl chloride?
spiro[2.5]octane-7-sulfonyl chloride has a molecular weight of 208.71 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2.5]octane-7-sulfonyl chloride is sourced from PubChem (CID 165446788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).