3-diazenyl-4-hydroxynaphthalene-2-sulfonic acid

C10H8N2O4S — CID 137092011

IUPAC3-diazenyl-4-hydroxynaphthalene-2-sulfonic acid
SMILES[H]/N=N/c1c(S(=O)(=O)O)cc2ccccc2c1O
InChIInChI=1S/C10H8N2O4S/c11-12-9-8(17(14,15)16)5-6-3-1-2-4-7(6)10(9)13/h1-5,11,13H,(H,14,15,16)/b12-11+
InChIKeyZBSRUCMHTBPBBU-VAWYXSNFSA-N
MW252.25 g/mol
LogP2.45
Rot. Bonds2

About 3-diazenyl-4-hydroxynaphthalene-2-sulfonic acid

3-diazenyl-4-hydroxynaphthalene-2-sulfonic acid (PubChem CID 137092011) has the molecular formula C10H8N2O4S and a molecular weight of 252.25 g/mol. Its IUPAC name is 3-diazenyl-4-hydroxynaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name3-diazenyl-4-hydroxynaphthalene-2-sulfonic acid
PubChem CID137092011
Molecular FormulaC10H8N2O4S
Molecular Weight252.25 g/mol
Exact Mass252.02
IUPAC Name3-diazenyl-4-hydroxynaphthalene-2-sulfonic acid
SMILES[H]/N=N/c1c(S(=O)(=O)O)cc2ccccc2c1O
InChIInChI=1S/C10H8N2O4S/c11-12-9-8(17(14,15)16)5-6-3-1-2-4-7(6)10(9)13/h1-5,11,13H,(H,14,15,16)/b12-11+
InChIKeyZBSRUCMHTBPBBU-VAWYXSNFSA-N
XLogP2.45
TPSA110.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.45
H-Bond Donors ≤ 53
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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-diazenyl-4-hydroxynaphthalene-2-sulfonic acid?
The IUPAC name of 3-diazenyl-4-hydroxynaphthalene-2-sulfonic acid (CID 137092011) is 3-diazenyl-4-hydroxynaphthalene-2-sulfonic acid.
What is the SMILES notation for 3-diazenyl-4-hydroxynaphthalene-2-sulfonic acid?
The canonical SMILES for 3-diazenyl-4-hydroxynaphthalene-2-sulfonic acid is [H]/N=N/c1c(S(=O)(=O)O)cc2ccccc2c1O.
What is the InChIKey of 3-diazenyl-4-hydroxynaphthalene-2-sulfonic acid?
The InChIKey is ZBSRUCMHTBPBBU-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H8N2O4S/c11-12-9-8(17(14,15)16)5-6-3-1-2-4-7(6)10(9)13/h1-5,11,13H,(H,14,15,16)/b12-11+.
What are the key properties of 3-diazenyl-4-hydroxynaphthalene-2-sulfonic acid?
3-diazenyl-4-hydroxynaphthalene-2-sulfonic acid has a molecular weight of 252.25 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazenyl-4-hydroxynaphthalene-2-sulfonic acid is sourced from PubChem (CID 137092011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).