4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonic acid

C22H16N4O4S — CID 22908

IUPAC4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2ccc(/N=N/c3c(O)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C22H16N4O4S/c27-21-14-5-15-3-1-2-4-20(15)22(21)26-25-17-8-6-16(7-9-17)23-24-18-10-12-19(13-11-18)31(28,29)30/h1-14,27H,(H,28,29,30)/b24-23+,26-25+
InChIKeyLEYJJTBJCFGAQN-QSZPNPOGSA-N
MW432.46 g/mol
LogP6.62
Rot. Bonds5

About 4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonic acid

4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonic acid (PubChem CID 22908) has the molecular formula C22H16N4O4S and a molecular weight of 432.46 g/mol. Its IUPAC name is 4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonic acid.

Molecular Properties

Compound Name4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
PubChem CID22908
Molecular FormulaC22H16N4O4S
Molecular Weight432.46 g/mol
Exact Mass432.09
IUPAC Name4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2ccc(/N=N/c3c(O)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C22H16N4O4S/c27-21-14-5-15-3-1-2-4-20(15)22(21)26-25-17-8-6-16(7-9-17)23-24-18-10-12-19(13-11-18)31(28,29)30/h1-14,27H,(H,28,29,30)/b24-23+,26-25+
InChIKeyLEYJJTBJCFGAQN-QSZPNPOGSA-N
XLogP6.62
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.46
LogP ≤ 56.62
H-Bond Donors ≤ 52
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 4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonic acid?
The IUPAC name of 4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonic acid (CID 22908) is 4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonic acid.
What is the SMILES notation for 4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonic acid?
The canonical SMILES for 4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonic acid is O=S(=O)(O)c1ccc(/N=N/c2ccc(/N=N/c3c(O)ccc4ccccc34)cc2)cc1.
What is the InChIKey of 4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonic acid?
The InChIKey is LEYJJTBJCFGAQN-QSZPNPOGSA-N. The full InChI is InChI=1S/C22H16N4O4S/c27-21-14-5-15-3-1-2-4-20(15)22(21)26-25-17-8-6-16(7-9-17)23-24-18-10-12-19(13-11-18)31(28,29)30/h1-14,27H,(H,28,29,30)/b24-23+,26-25+.
What are the key properties of 4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonic acid?
4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonic acid has a molecular weight of 432.46 g/mol, XLogP of 6.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonic acid is sourced from PubChem (CID 22908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).