2-(methoxydiazenyl)benzenesulfonic acid

C7H8N2O4S — CID 88514603

IUPAC2-(methoxydiazenyl)benzenesulfonic acid
SMILESCO/N=N/c1ccccc1S(=O)(=O)O
InChIInChI=1S/C7H8N2O4S/c1-13-9-8-6-4-2-3-5-7(6)14(10,11)12/h2-5H,1H3,(H,10,11,12)/b9-8+
InChIKeyLSEWWSVXFPRXNL-CMDGGOBGSA-N
MW216.22 g/mol
LogP1.58
Rot. Bonds3

About 2-(methoxydiazenyl)benzenesulfonic acid

2-(methoxydiazenyl)benzenesulfonic acid (PubChem CID 88514603) has the molecular formula C7H8N2O4S and a molecular weight of 216.22 g/mol. Its IUPAC name is 2-(methoxydiazenyl)benzenesulfonic acid.

Molecular Properties

Compound Name2-(methoxydiazenyl)benzenesulfonic acid
PubChem CID88514603
Molecular FormulaC7H8N2O4S
Molecular Weight216.22 g/mol
Exact Mass216.02
IUPAC Name2-(methoxydiazenyl)benzenesulfonic acid
SMILESCO/N=N/c1ccccc1S(=O)(=O)O
InChIInChI=1S/C7H8N2O4S/c1-13-9-8-6-4-2-3-5-7(6)14(10,11)12/h2-5H,1H3,(H,10,11,12)/b9-8+
InChIKeyLSEWWSVXFPRXNL-CMDGGOBGSA-N
XLogP1.58
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxydiazenyl)benzenesulfonic acid?
The IUPAC name of 2-(methoxydiazenyl)benzenesulfonic acid (CID 88514603) is 2-(methoxydiazenyl)benzenesulfonic acid.
What is the SMILES notation for 2-(methoxydiazenyl)benzenesulfonic acid?
The canonical SMILES for 2-(methoxydiazenyl)benzenesulfonic acid is CO/N=N/c1ccccc1S(=O)(=O)O.
What is the InChIKey of 2-(methoxydiazenyl)benzenesulfonic acid?
The InChIKey is LSEWWSVXFPRXNL-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H8N2O4S/c1-13-9-8-6-4-2-3-5-7(6)14(10,11)12/h2-5H,1H3,(H,10,11,12)/b9-8+.
What are the key properties of 2-(methoxydiazenyl)benzenesulfonic acid?
2-(methoxydiazenyl)benzenesulfonic acid has a molecular weight of 216.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxydiazenyl)benzenesulfonic acid is sourced from PubChem (CID 88514603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).