6-chlorohexylsulfonylmethylcyclopentane

C12H23ClO2S — CID 63119415

IUPAC6-chlorohexylsulfonylmethylcyclopentane
SMILESO=S(=O)(CCCCCCCl)CC1CCCC1
InChIInChI=1S/C12H23ClO2S/c13-9-5-1-2-6-10-16(14,15)11-12-7-3-4-8-12/h12H,1-11H2
InChIKeyNGDICNQDWOEHLP-UHFFFAOYSA-N
MW266.83 g/mol
LogP3.39
Rot. Bonds8

About 6-chlorohexylsulfonylmethylcyclopentane

6-chlorohexylsulfonylmethylcyclopentane (PubChem CID 63119415) has the molecular formula C12H23ClO2S and a molecular weight of 266.83 g/mol. Its IUPAC name is 6-chlorohexylsulfonylmethylcyclopentane.

Molecular Properties

Compound Name6-chlorohexylsulfonylmethylcyclopentane
PubChem CID63119415
Molecular FormulaC12H23ClO2S
Molecular Weight266.83 g/mol
Exact Mass266.11
IUPAC Name6-chlorohexylsulfonylmethylcyclopentane
SMILESO=S(=O)(CCCCCCCl)CC1CCCC1
InChIInChI=1S/C12H23ClO2S/c13-9-5-1-2-6-10-16(14,15)11-12-7-3-4-8-12/h12H,1-11H2
InChIKeyNGDICNQDWOEHLP-UHFFFAOYSA-N
XLogP3.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.83
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chlorohexylsulfonylmethylcyclopentane?
The IUPAC name of 6-chlorohexylsulfonylmethylcyclopentane (CID 63119415) is 6-chlorohexylsulfonylmethylcyclopentane.
What is the SMILES notation for 6-chlorohexylsulfonylmethylcyclopentane?
The canonical SMILES for 6-chlorohexylsulfonylmethylcyclopentane is O=S(=O)(CCCCCCCl)CC1CCCC1.
What is the InChIKey of 6-chlorohexylsulfonylmethylcyclopentane?
The InChIKey is NGDICNQDWOEHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClO2S/c13-9-5-1-2-6-10-16(14,15)11-12-7-3-4-8-12/h12H,1-11H2.
What are the key properties of 6-chlorohexylsulfonylmethylcyclopentane?
6-chlorohexylsulfonylmethylcyclopentane has a molecular weight of 266.83 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorohexylsulfonylmethylcyclopentane is sourced from PubChem (CID 63119415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).