2-bicyclo[2.2.1]hept-5-enylmethanesulfonyl chloride

C8H11ClO2S — CID 131082366

IUPAC2-bicyclo[2.2.1]hept-5-enylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CC2C=CC1C2
InChIInChI=1S/C8H11ClO2S/c9-12(10,11)5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2
InChIKeyJEJUVTTZRYBDAX-UHFFFAOYSA-N
MW206.69 g/mol
LogP1.77
Rot. Bonds2

About 2-bicyclo[2.2.1]hept-5-enylmethanesulfonyl chloride

2-bicyclo[2.2.1]hept-5-enylmethanesulfonyl chloride (PubChem CID 131082366) has the molecular formula C8H11ClO2S and a molecular weight of 206.69 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylmethanesulfonyl chloride.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylmethanesulfonyl chloride
PubChem CID131082366
Molecular FormulaC8H11ClO2S
Molecular Weight206.69 g/mol
Exact Mass206.02
IUPAC Name2-bicyclo[2.2.1]hept-5-enylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CC2C=CC1C2
InChIInChI=1S/C8H11ClO2S/c9-12(10,11)5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2
InChIKeyJEJUVTTZRYBDAX-UHFFFAOYSA-N
XLogP1.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.69
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethanesulfonyl chloride?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethanesulfonyl chloride (CID 131082366) is 2-bicyclo[2.2.1]hept-5-enylmethanesulfonyl chloride.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylmethanesulfonyl chloride?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylmethanesulfonyl chloride is O=S(=O)(Cl)CC1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylmethanesulfonyl chloride?
The InChIKey is JEJUVTTZRYBDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO2S/c9-12(10,11)5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylmethanesulfonyl chloride?
2-bicyclo[2.2.1]hept-5-enylmethanesulfonyl chloride has a molecular weight of 206.69 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylmethanesulfonyl chloride is sourced from PubChem (CID 131082366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).