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

C15H10N2O6S — CID 135927100

IUPAC4-[(4-hydroxy-2-oxochromen-3-yl)diazenyl]benzenesulfonic acid
SMILESO=c1oc2ccccc2c(O)c1/N=N/c1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C15H10N2O6S/c18-14-11-3-1-2-4-12(11)23-15(19)13(14)17-16-9-5-7-10(8-6-9)24(20,21)22/h1-8,18H,(H,20,21,22)/b17-16+
InChIKeyHJPIYLLGZDFKAN-WUKNDPDISA-N
MW346.32 g/mol
LogP3.16
Rot. Bonds3

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

4-[(4-hydroxy-2-oxochromen-3-yl)diazenyl]benzenesulfonic acid (PubChem CID 135927100) has the molecular formula C15H10N2O6S and a molecular weight of 346.32 g/mol. Its IUPAC name is 4-[(4-hydroxy-2-oxochromen-3-yl)diazenyl]benzenesulfonic acid.

Molecular Properties

Compound Name4-[(4-hydroxy-2-oxochromen-3-yl)diazenyl]benzenesulfonic acid
PubChem CID135927100
Molecular FormulaC15H10N2O6S
Molecular Weight346.32 g/mol
Exact Mass346.03
IUPAC Name4-[(4-hydroxy-2-oxochromen-3-yl)diazenyl]benzenesulfonic acid
SMILESO=c1oc2ccccc2c(O)c1/N=N/c1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C15H10N2O6S/c18-14-11-3-1-2-4-12(11)23-15(19)13(14)17-16-9-5-7-10(8-6-9)24(20,21)22/h1-8,18H,(H,20,21,22)/b17-16+
InChIKeyHJPIYLLGZDFKAN-WUKNDPDISA-N
XLogP3.16
TPSA129.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', '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-{[(Z)-(2,4-dioxo-2H-chromen-3(4H)-ylidene)methyl]amino}benzenesulfonamide
CID 135439790
N,N-diethyl-3-[(4-hydroxy-2-oxochromen-3-yl)diazenyl]benzenesulfonamide
CID 135475570
coumarin, 7-amino-4-hydroxy-3-sulfanilamido-, monosodium salt
CID 23675788
4-Hydroxy-8-methyl-3-phenyldiazenylchromen-2-one
CID 135448454
4-Hydroxy-3-(2-(4-methoxyphenyl)diazenyl)-2H-1-benzopyran-2-one
CID 135666650
3-(4'-Fluorophenylhydrazono)-2,4-chromandione
CID 156613214
N,N-diethyl-4-[(4-hydroxy-2-oxochromen-3-yl)diazenyl]benzenesulfonamide
CID 135461356
2H-1-Benzopyran-2-one, 4-hydroxy-3-(phenylazo)-
CID 135535934
4-Hydroxy-3-p-tolylazo-chromen-2-one
CID 135693104
3-(4'-Tolylhydrazono)-2,4-chromandione
CID 156613215
3-(4'-Iodophenylhydrazono)-2,4-chromandione
CID 156613216
3-(4'-Ethylphenylhydrazono)-2,4-chromandione
CID 156613228

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-2-oxochromen-3-yl)diazenyl]benzenesulfonic acid?
The IUPAC name of 4-[(4-hydroxy-2-oxochromen-3-yl)diazenyl]benzenesulfonic acid (CID 135927100) is 4-[(4-hydroxy-2-oxochromen-3-yl)diazenyl]benzenesulfonic acid.
What is the SMILES notation for 4-[(4-hydroxy-2-oxochromen-3-yl)diazenyl]benzenesulfonic acid?
The canonical SMILES for 4-[(4-hydroxy-2-oxochromen-3-yl)diazenyl]benzenesulfonic acid is O=c1oc2ccccc2c(O)c1/N=N/c1ccc(S(=O)(=O)O)cc1.
What is the InChIKey of 4-[(4-hydroxy-2-oxochromen-3-yl)diazenyl]benzenesulfonic acid?
The InChIKey is HJPIYLLGZDFKAN-WUKNDPDISA-N. The full InChI is InChI=1S/C15H10N2O6S/c18-14-11-3-1-2-4-12(11)23-15(19)13(14)17-16-9-5-7-10(8-6-9)24(20,21)22/h1-8,18H,(H,20,21,22)/b17-16+.
What are the key properties of 4-[(4-hydroxy-2-oxochromen-3-yl)diazenyl]benzenesulfonic acid?
4-[(4-hydroxy-2-oxochromen-3-yl)diazenyl]benzenesulfonic acid has a molecular weight of 346.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-2-oxochromen-3-yl)diazenyl]benzenesulfonic acid is sourced from PubChem (CID 135927100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).