4-[[2,4-dihydroxy-5-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid

C18H14N4O6S — CID 136679511

IUPAC4-[[2,4-dihydroxy-5-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2cc(/N=N/c3ccc(O)cc3)c(O)cc2O)cc1
InChIInChI=1S/C18H14N4O6S/c23-13-5-1-11(2-6-13)19-21-15-9-16(18(25)10-17(15)24)22-20-12-3-7-14(8-4-12)29(26,27)28/h1-10,23-25H,(H,26,27,28)/b21-19+,22-20+
InChIKeyVBVVVLJBGZXCIM-FLFKKZLDSA-N
MW414.40 g/mol
LogP4.88
Rot. Bonds5

About 4-[[2,4-dihydroxy-5-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid

4-[[2,4-dihydroxy-5-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid (PubChem CID 136679511) has the molecular formula C18H14N4O6S and a molecular weight of 414.40 g/mol. Its IUPAC name is 4-[[2,4-dihydroxy-5-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid.

Molecular Properties

Compound Name4-[[2,4-dihydroxy-5-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
PubChem CID136679511
Molecular FormulaC18H14N4O6S
Molecular Weight414.40 g/mol
Exact Mass414.06
IUPAC Name4-[[2,4-dihydroxy-5-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(/N=N/c2cc(/N=N/c3ccc(O)cc3)c(O)cc2O)cc1
InChIInChI=1S/C18H14N4O6S/c23-13-5-1-11(2-6-13)19-21-15-9-16(18(25)10-17(15)24)22-20-12-3-7-14(8-4-12)29(26,27)28/h1-10,23-25H,(H,26,27,28)/b21-19+,22-20+
InChIKeyVBVVVLJBGZXCIM-FLFKKZLDSA-N
XLogP4.88
TPSA164.50 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 54.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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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Related Compounds

CID 170845739
CID 170845739
CID 170841045
CID 170841045
4-[(5-fluoro-2-hydroxyphenyl)diazenyl]benzenesulfonic acid
CID 136728610
6-[(4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid
CID 136742448
4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonate
CID 3343252
4-[[2-hydroxy-5-[10,15,20-tris[4-hydroxy-3-[(4-sulfophenyl)diazenyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]diazenyl]benzenesulfonic acid
CID 25199406
4-[[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]sulfonylphenyl]diazenyl]phenol
CID 135852852
CID 131880553
CID 131880553
bis(4-hydroxybenzenesulfonic acid);zinc
CID 87093741
chromium;bis(3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid);hydron
CID 163360142
sodium 4-[[5-[(2,4-dimethylphenyl)diazenyl]-2,4-dihydroxyphenyl]diazenyl]benzenesulfonate
CID 135570494
CID 170841645
CID 170841645

Frequently Asked Questions

What is the IUPAC name of 4-[[2,4-dihydroxy-5-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid?
The IUPAC name of 4-[[2,4-dihydroxy-5-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid (CID 136679511) is 4-[[2,4-dihydroxy-5-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid.
What is the SMILES notation for 4-[[2,4-dihydroxy-5-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid?
The canonical SMILES for 4-[[2,4-dihydroxy-5-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid is O=S(=O)(O)c1ccc(/N=N/c2cc(/N=N/c3ccc(O)cc3)c(O)cc2O)cc1.
What is the InChIKey of 4-[[2,4-dihydroxy-5-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid?
The InChIKey is VBVVVLJBGZXCIM-FLFKKZLDSA-N. The full InChI is InChI=1S/C18H14N4O6S/c23-13-5-1-11(2-6-13)19-21-15-9-16(18(25)10-17(15)24)22-20-12-3-7-14(8-4-12)29(26,27)28/h1-10,23-25H,(H,26,27,28)/b21-19+,22-20+.
What are the key properties of 4-[[2,4-dihydroxy-5-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid?
4-[[2,4-dihydroxy-5-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid has a molecular weight of 414.40 g/mol, XLogP of 4.88, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,4-dihydroxy-5-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid is sourced from PubChem (CID 136679511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).