4-hydroxy-8-[(5-hydroxy-7-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid

C20H14N2O8S2 — CID 137167375

IUPAC4-hydroxy-8-[(5-hydroxy-7-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1cc(O)c2cccc(/N=N/c3cccc4c(O)cc(S(=O)(=O)O)cc34)c2c1
InChIInChI=1S/C20H14N2O8S2/c23-19-9-11(31(25,26)27)7-15-13(19)3-1-5-17(15)21-22-18-6-2-4-14-16(18)8-12(10-20(14)24)32(28,29)30/h1-10,23-24H,(H,25,26,27)(H,28,29,30)/b22-21+
InChIKeyWDWUYDKFCUAXFD-QURGRASLSA-N
MW474.47 g/mol
LogP4.31
Rot. Bonds4

About 4-hydroxy-8-[(5-hydroxy-7-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid

4-hydroxy-8-[(5-hydroxy-7-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid (PubChem CID 137167375) has the molecular formula C20H14N2O8S2 and a molecular weight of 474.47 g/mol. Its IUPAC name is 4-hydroxy-8-[(5-hydroxy-7-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name4-hydroxy-8-[(5-hydroxy-7-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid
PubChem CID137167375
Molecular FormulaC20H14N2O8S2
Molecular Weight474.47 g/mol
Exact Mass474.02
IUPAC Name4-hydroxy-8-[(5-hydroxy-7-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1cc(O)c2cccc(/N=N/c3cccc4c(O)cc(S(=O)(=O)O)cc34)c2c1
InChIInChI=1S/C20H14N2O8S2/c23-19-9-11(31(25,26)27)7-15-13(19)3-1-5-17(15)21-22-18-6-2-4-14-16(18)8-12(10-20(14)24)32(28,29)30/h1-10,23-24H,(H,25,26,27)(H,28,29,30)/b22-21+
InChIKeyWDWUYDKFCUAXFD-QURGRASLSA-N
XLogP4.31
TPSA173.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 54.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-hydroxy-8-[(5-hydroxy-7-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid?
The IUPAC name of 4-hydroxy-8-[(5-hydroxy-7-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid (CID 137167375) is 4-hydroxy-8-[(5-hydroxy-7-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid.
What is the SMILES notation for 4-hydroxy-8-[(5-hydroxy-7-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid?
The canonical SMILES for 4-hydroxy-8-[(5-hydroxy-7-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid is O=S(=O)(O)c1cc(O)c2cccc(/N=N/c3cccc4c(O)cc(S(=O)(=O)O)cc34)c2c1.
What is the InChIKey of 4-hydroxy-8-[(5-hydroxy-7-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid?
The InChIKey is WDWUYDKFCUAXFD-QURGRASLSA-N. The full InChI is InChI=1S/C20H14N2O8S2/c23-19-9-11(31(25,26)27)7-15-13(19)3-1-5-17(15)21-22-18-6-2-4-14-16(18)8-12(10-20(14)24)32(28,29)30/h1-10,23-24H,(H,25,26,27)(H,28,29,30)/b22-21+.
What are the key properties of 4-hydroxy-8-[(5-hydroxy-7-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid?
4-hydroxy-8-[(5-hydroxy-7-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid has a molecular weight of 474.47 g/mol, XLogP of 4.31, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-[(5-hydroxy-7-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid is sourced from PubChem (CID 137167375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).