1-bicyclo[2.2.1]heptanylmethanesulfonyl chloride

C8H13ClO2S — CID 119031417

IUPAC1-bicyclo[2.2.1]heptanylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC12CCC(CC1)C2
InChIInChI=1S/C8H13ClO2S/c9-12(10,11)6-8-3-1-7(5-8)2-4-8/h7H,1-6H2
InChIKeyTUEFNUBIIXIEAG-UHFFFAOYSA-N
MW208.71 g/mol
LogP2.14
Rot. Bonds2

About 1-bicyclo[2.2.1]heptanylmethanesulfonyl chloride

1-bicyclo[2.2.1]heptanylmethanesulfonyl chloride (PubChem CID 119031417) has the molecular formula C8H13ClO2S and a molecular weight of 208.71 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]heptanylmethanesulfonyl chloride.

Molecular Properties

Compound Name1-bicyclo[2.2.1]heptanylmethanesulfonyl chloride
PubChem CID119031417
Molecular FormulaC8H13ClO2S
Molecular Weight208.71 g/mol
Exact Mass208.03
IUPAC Name1-bicyclo[2.2.1]heptanylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC12CCC(CC1)C2
InChIInChI=1S/C8H13ClO2S/c9-12(10,11)6-8-3-1-7(5-8)2-4-8/h7H,1-6H2
InChIKeyTUEFNUBIIXIEAG-UHFFFAOYSA-N
XLogP2.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.71
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.1]heptanylmethanesulfonyl chloride?
The IUPAC name of 1-bicyclo[2.2.1]heptanylmethanesulfonyl chloride (CID 119031417) is 1-bicyclo[2.2.1]heptanylmethanesulfonyl chloride.
What is the SMILES notation for 1-bicyclo[2.2.1]heptanylmethanesulfonyl chloride?
The canonical SMILES for 1-bicyclo[2.2.1]heptanylmethanesulfonyl chloride is O=S(=O)(Cl)CC12CCC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]heptanylmethanesulfonyl chloride?
The InChIKey is TUEFNUBIIXIEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO2S/c9-12(10,11)6-8-3-1-7(5-8)2-4-8/h7H,1-6H2.
What are the key properties of 1-bicyclo[2.2.1]heptanylmethanesulfonyl chloride?
1-bicyclo[2.2.1]heptanylmethanesulfonyl chloride has a molecular weight of 208.71 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]heptanylmethanesulfonyl chloride is sourced from PubChem (CID 119031417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).