diazoniosulfonylcyclohexane

C6H11N2O2S+ — CID 154139567

IUPACdiazoniosulfonylcyclohexane
SMILESN#[N+]S(=O)(=O)C1CCCCC1
InChIInChI=1S/C6H11N2O2S/c7-8-11(9,10)6-4-2-1-3-5-6/h6H,1-5H2/q+1
InChIKeyYWSUMIZSCSYDIR-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.50
Rot. Bonds1

About diazoniosulfonylcyclohexane

diazoniosulfonylcyclohexane (PubChem CID 154139567) has the molecular formula C6H11N2O2S+ and a molecular weight of 175.23 g/mol. Its IUPAC name is diazoniosulfonylcyclohexane.

Molecular Properties

Compound Namediazoniosulfonylcyclohexane
PubChem CID154139567
Molecular FormulaC6H11N2O2S+
Molecular Weight175.23 g/mol
Exact Mass175.05
IUPAC Namediazoniosulfonylcyclohexane
SMILESN#[N+]S(=O)(=O)C1CCCCC1
InChIInChI=1S/C6H11N2O2S/c7-8-11(9,10)6-4-2-1-3-5-6/h6H,1-5H2/q+1
InChIKeyYWSUMIZSCSYDIR-UHFFFAOYSA-N
XLogP1.50
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diazoniosulfonylcyclohexane?
The IUPAC name of diazoniosulfonylcyclohexane (CID 154139567) is diazoniosulfonylcyclohexane.
What is the SMILES notation for diazoniosulfonylcyclohexane?
The canonical SMILES for diazoniosulfonylcyclohexane is N#[N+]S(=O)(=O)C1CCCCC1.
What is the InChIKey of diazoniosulfonylcyclohexane?
The InChIKey is YWSUMIZSCSYDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2O2S/c7-8-11(9,10)6-4-2-1-3-5-6/h6H,1-5H2/q+1.
What are the key properties of diazoniosulfonylcyclohexane?
diazoniosulfonylcyclohexane has a molecular weight of 175.23 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diazoniosulfonylcyclohexane is sourced from PubChem (CID 154139567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).