1-hydroxy-2-(naphthalen-1-yldiazenyl)naphthalene-1,2-disulfonic acid

C20H16N2O7S2 — CID 87198893

IUPAC1-hydroxy-2-(naphthalen-1-yldiazenyl)naphthalene-1,2-disulfonic acid
SMILESO=S(=O)(O)C1(/N=N/c2cccc3ccccc23)C=Cc2ccccc2C1(O)S(=O)(=O)O
InChIInChI=1S/C20H16N2O7S2/c23-20(31(27,28)29)17-10-4-2-7-15(17)12-13-19(20,30(24,25)26)22-21-18-11-5-8-14-6-1-3-9-16(14)18/h1-13,23H,(H,24,25,26)(H,27,28,29)/b22-21+
InChIKeyWNSJTAGOKKXBBW-QURGRASLSA-N
MW460.49 g/mol
LogP3.27
Rot. Bonds4

About 1-hydroxy-2-(naphthalen-1-yldiazenyl)naphthalene-1,2-disulfonic acid

1-hydroxy-2-(naphthalen-1-yldiazenyl)naphthalene-1,2-disulfonic acid (PubChem CID 87198893) has the molecular formula C20H16N2O7S2 and a molecular weight of 460.49 g/mol. Its IUPAC name is 1-hydroxy-2-(naphthalen-1-yldiazenyl)naphthalene-1,2-disulfonic acid.

Molecular Properties

Compound Name1-hydroxy-2-(naphthalen-1-yldiazenyl)naphthalene-1,2-disulfonic acid
PubChem CID87198893
Molecular FormulaC20H16N2O7S2
Molecular Weight460.49 g/mol
Exact Mass460.04
IUPAC Name1-hydroxy-2-(naphthalen-1-yldiazenyl)naphthalene-1,2-disulfonic acid
SMILESO=S(=O)(O)C1(/N=N/c2cccc3ccccc23)C=Cc2ccccc2C1(O)S(=O)(=O)O
InChIInChI=1S/C20H16N2O7S2/c23-20(31(27,28)29)17-10-4-2-7-15(17)12-13-19(20,30(24,25)26)22-21-18-11-5-8-14-6-1-3-9-16(14)18/h1-13,23H,(H,24,25,26)(H,27,28,29)/b22-21+
InChIKeyWNSJTAGOKKXBBW-QURGRASLSA-N
XLogP3.27
TPSA153.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 1-hydroxy-2-(naphthalen-1-yldiazenyl)naphthalene-1,2-disulfonic acid?
The IUPAC name of 1-hydroxy-2-(naphthalen-1-yldiazenyl)naphthalene-1,2-disulfonic acid (CID 87198893) is 1-hydroxy-2-(naphthalen-1-yldiazenyl)naphthalene-1,2-disulfonic acid.
What is the SMILES notation for 1-hydroxy-2-(naphthalen-1-yldiazenyl)naphthalene-1,2-disulfonic acid?
The canonical SMILES for 1-hydroxy-2-(naphthalen-1-yldiazenyl)naphthalene-1,2-disulfonic acid is O=S(=O)(O)C1(/N=N/c2cccc3ccccc23)C=Cc2ccccc2C1(O)S(=O)(=O)O.
What is the InChIKey of 1-hydroxy-2-(naphthalen-1-yldiazenyl)naphthalene-1,2-disulfonic acid?
The InChIKey is WNSJTAGOKKXBBW-QURGRASLSA-N. The full InChI is InChI=1S/C20H16N2O7S2/c23-20(31(27,28)29)17-10-4-2-7-15(17)12-13-19(20,30(24,25)26)22-21-18-11-5-8-14-6-1-3-9-16(14)18/h1-13,23H,(H,24,25,26)(H,27,28,29)/b22-21+.
What are the key properties of 1-hydroxy-2-(naphthalen-1-yldiazenyl)naphthalene-1,2-disulfonic acid?
1-hydroxy-2-(naphthalen-1-yldiazenyl)naphthalene-1,2-disulfonic acid has a molecular weight of 460.49 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-(naphthalen-1-yldiazenyl)naphthalene-1,2-disulfonic acid is sourced from PubChem (CID 87198893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).