(4-methylsulfonylphenyl)-(pyridin-2-ylmethyl)diazene

C13H13N3O2S — CID 91363696

IUPAC(4-methylsulfonylphenyl)-(pyridin-2-ylmethyl)diazene
SMILESCS(=O)(=O)c1ccc(/N=N/Cc2ccccn2)cc1
InChIInChI=1S/C13H13N3O2S/c1-19(17,18)13-7-5-11(6-8-13)16-15-10-12-4-2-3-9-14-12/h2-9H,10H2,1H3/b16-15+
InChIKeyFFXHIBRKRRJGPO-FOCLMDBBSA-N
MW275.33 g/mol
LogP2.77
Rot. Bonds4

About (4-methylsulfonylphenyl)-(pyridin-2-ylmethyl)diazene

(4-methylsulfonylphenyl)-(pyridin-2-ylmethyl)diazene (PubChem CID 91363696) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is (4-methylsulfonylphenyl)-(pyridin-2-ylmethyl)diazene.

Molecular Properties

Compound Name(4-methylsulfonylphenyl)-(pyridin-2-ylmethyl)diazene
PubChem CID91363696
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name(4-methylsulfonylphenyl)-(pyridin-2-ylmethyl)diazene
SMILESCS(=O)(=O)c1ccc(/N=N/Cc2ccccn2)cc1
InChIInChI=1S/C13H13N3O2S/c1-19(17,18)13-7-5-11(6-8-13)16-15-10-12-4-2-3-9-14-12/h2-9H,10H2,1H3/b16-15+
InChIKeyFFXHIBRKRRJGPO-FOCLMDBBSA-N
XLogP2.77
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylphenyl)-(pyridin-2-ylmethyl)diazene?
The IUPAC name of (4-methylsulfonylphenyl)-(pyridin-2-ylmethyl)diazene (CID 91363696) is (4-methylsulfonylphenyl)-(pyridin-2-ylmethyl)diazene.
What is the SMILES notation for (4-methylsulfonylphenyl)-(pyridin-2-ylmethyl)diazene?
The canonical SMILES for (4-methylsulfonylphenyl)-(pyridin-2-ylmethyl)diazene is CS(=O)(=O)c1ccc(/N=N/Cc2ccccn2)cc1.
What is the InChIKey of (4-methylsulfonylphenyl)-(pyridin-2-ylmethyl)diazene?
The InChIKey is FFXHIBRKRRJGPO-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-19(17,18)13-7-5-11(6-8-13)16-15-10-12-4-2-3-9-14-12/h2-9H,10H2,1H3/b16-15+.
What are the key properties of (4-methylsulfonylphenyl)-(pyridin-2-ylmethyl)diazene?
(4-methylsulfonylphenyl)-(pyridin-2-ylmethyl)diazene has a molecular weight of 275.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylphenyl)-(pyridin-2-ylmethyl)diazene is sourced from PubChem (CID 91363696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).