2-methylsulfonylbenzenediazonium

C7H7N2O2S+ — CID 160989192

IUPAC2-methylsulfonylbenzenediazonium
SMILESCS(=O)(=O)c1ccccc1[N+]#N
InChIInChI=1S/C7H7N2O2S/c1-12(10,11)7-5-3-2-4-6(7)9-8/h2-5H,1H3/q+1
InChIKeyTUJWTHYJIXGTHU-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.57
Rot. Bonds1

About 2-methylsulfonylbenzenediazonium

2-methylsulfonylbenzenediazonium (PubChem CID 160989192) has the molecular formula C7H7N2O2S+ and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-methylsulfonylbenzenediazonium.

Molecular Properties

Compound Name2-methylsulfonylbenzenediazonium
PubChem CID160989192
Molecular FormulaC7H7N2O2S+
Molecular Weight183.21 g/mol
Exact Mass183.02
IUPAC Name2-methylsulfonylbenzenediazonium
SMILESCS(=O)(=O)c1ccccc1[N+]#N
InChIInChI=1S/C7H7N2O2S/c1-12(10,11)7-5-3-2-4-6(7)9-8/h2-5H,1H3/q+1
InChIKeyTUJWTHYJIXGTHU-UHFFFAOYSA-N
XLogP1.57
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.57
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 2-methylsulfonylbenzenediazonium?
The IUPAC name of 2-methylsulfonylbenzenediazonium (CID 160989192) is 2-methylsulfonylbenzenediazonium.
What is the SMILES notation for 2-methylsulfonylbenzenediazonium?
The canonical SMILES for 2-methylsulfonylbenzenediazonium is CS(=O)(=O)c1ccccc1[N+]#N.
What is the InChIKey of 2-methylsulfonylbenzenediazonium?
The InChIKey is TUJWTHYJIXGTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2O2S/c1-12(10,11)7-5-3-2-4-6(7)9-8/h2-5H,1H3/q+1.
What are the key properties of 2-methylsulfonylbenzenediazonium?
2-methylsulfonylbenzenediazonium has a molecular weight of 183.21 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylbenzenediazonium is sourced from PubChem (CID 160989192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).