chloro(cyclohexyl)methanesulfonyl chloride

C7H12Cl2O2S — CID 105488887

IUPACchloro(cyclohexyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)C(Cl)C1CCCCC1
InChIInChI=1S/C7H12Cl2O2S/c8-7(12(9,10)11)6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyRGMISYWJMHGYSN-UHFFFAOYSA-N
MW231.14 g/mol
LogP2.70
Rot. Bonds2

About chloro(cyclohexyl)methanesulfonyl chloride

chloro(cyclohexyl)methanesulfonyl chloride (PubChem CID 105488887) has the molecular formula C7H12Cl2O2S and a molecular weight of 231.14 g/mol. Its IUPAC name is chloro(cyclohexyl)methanesulfonyl chloride.

Molecular Properties

Compound Namechloro(cyclohexyl)methanesulfonyl chloride
PubChem CID105488887
Molecular FormulaC7H12Cl2O2S
Molecular Weight231.14 g/mol
Exact Mass229.99
IUPAC Namechloro(cyclohexyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)C(Cl)C1CCCCC1
InChIInChI=1S/C7H12Cl2O2S/c8-7(12(9,10)11)6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyRGMISYWJMHGYSN-UHFFFAOYSA-N
XLogP2.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.14
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chloro(thiolan-3-yl)methanesulfonyl chloride
CID 105495676
cyclohexane;dichloromethylcyclohexane
CID 118430501
1-cyclopentyl-2,2,2-trifluoroethanesulfonyl chloride
CID 114827468
CID 174647360
CID 174647360
cyclohexylmethanedisulfonic acid
CID 151464619
1-chloroethylcyclododecane
CID 66468842
[chloro(fluoro)methyl]cyclohexane
CID 134937924
(2S)-2-cyclohexyl-2-methoxyethanesulfonyl chloride
CID 125041504
cyclohexyl(hydroxy)methanesulfonic acid
CID 24965327
difluoromethylcyclopentadecane
CID 101486578
difluoromethylcyclohexane
CID 11804807
cyclopentane;sulfuryl dichloride
CID 87352462

Frequently Asked Questions

What is the IUPAC name of chloro(cyclohexyl)methanesulfonyl chloride?
The IUPAC name of chloro(cyclohexyl)methanesulfonyl chloride (CID 105488887) is chloro(cyclohexyl)methanesulfonyl chloride.
What is the SMILES notation for chloro(cyclohexyl)methanesulfonyl chloride?
The canonical SMILES for chloro(cyclohexyl)methanesulfonyl chloride is O=S(=O)(Cl)C(Cl)C1CCCCC1.
What is the InChIKey of chloro(cyclohexyl)methanesulfonyl chloride?
The InChIKey is RGMISYWJMHGYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2O2S/c8-7(12(9,10)11)6-4-2-1-3-5-6/h6-7H,1-5H2.
What are the key properties of chloro(cyclohexyl)methanesulfonyl chloride?
chloro(cyclohexyl)methanesulfonyl chloride has a molecular weight of 231.14 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(cyclohexyl)methanesulfonyl chloride is sourced from PubChem (CID 105488887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).