4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid

C12H10N2O5S — CID 135672570

IUPAC4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(O)c(/N=N/c2ccccc2O)c1
InChIInChI=1S/C12H10N2O5S/c15-11-4-2-1-3-9(11)13-14-10-7-8(20(17,18)19)5-6-12(10)16/h1-7,15-16H,(H,17,18,19)/b14-13+
InChIKeyJHKMUZGOOZJVFW-BUHFOSPRSA-N
MW294.29 g/mol
LogP2.76
Rot. Bonds3

About 4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid

4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid (PubChem CID 135672570) has the molecular formula C12H10N2O5S and a molecular weight of 294.29 g/mol. Its IUPAC name is 4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid.

Molecular Properties

Compound Name4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid
PubChem CID135672570
Molecular FormulaC12H10N2O5S
Molecular Weight294.29 g/mol
Exact Mass294.03
IUPAC Name4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(O)c(/N=N/c2ccccc2O)c1
InChIInChI=1S/C12H10N2O5S/c15-11-4-2-1-3-9(11)13-14-10-7-8(20(17,18)19)5-6-12(10)16/h1-7,15-16H,(H,17,18,19)/b14-13+
InChIKeyJHKMUZGOOZJVFW-BUHFOSPRSA-N
XLogP2.76
TPSA119.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-hydroxy-3-[[2-(trifluoromethyl)phenyl]diazenyl]benzenesulfonic acid
CID 136865561
chromium;bis(3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid);hydron
CID 163360142
CID 170843215
CID 170843215
4-hydroxy-3-isocyanatobenzenesulfonic acid
CID 169355860
3-[(2-amino-5-sulfophenyl)diazenyl]-4-hydroxybenzoic acid
CID 137181497
8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid
CID 4189423
4-[(5-fluoro-2-hydroxyphenyl)diazenyl]benzenesulfonic acid
CID 136728610
sodium 5-[(2-hydroxy-5-sulfophenyl)diazenyl]-2-[(E)-2-[4-[(2-hydroxy-5-sulfophenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 135499455
4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 163411937
6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135467867
4-methylsulfonyl-2-[[2-[(2-nitrophenyl)diazenyl]phenyl]diazenyl]phenol
CID 141193213
CID 170845739
CID 170845739

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid?
The IUPAC name of 4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid (CID 135672570) is 4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid.
What is the SMILES notation for 4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid?
The canonical SMILES for 4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid is O=S(=O)(O)c1ccc(O)c(/N=N/c2ccccc2O)c1.
What is the InChIKey of 4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid?
The InChIKey is JHKMUZGOOZJVFW-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H10N2O5S/c15-11-4-2-1-3-9(11)13-14-10-7-8(20(17,18)19)5-6-12(10)16/h1-7,15-16H,(H,17,18,19)/b14-13+.
What are the key properties of 4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid?
4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid has a molecular weight of 294.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid is sourced from PubChem (CID 135672570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).