3-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]benzenesulfonamide

C15H11N3O5S — CID 162674365

IUPAC3-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(/N=N/c2cc3ccc(=O)oc3cc2O)c1
InChIInChI=1S/C15H11N3O5S/c16-24(21,22)11-3-1-2-10(7-11)17-18-12-6-9-4-5-15(20)23-14(9)8-13(12)19/h1-8,19H,(H2,16,21,22)/b18-17+
InChIKeyLRHZODJAXYMZJL-ISLYRVAYSA-N
MW345.34 g/mol
LogP2.56
Rot. Bonds3

About 3-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]benzenesulfonamide

3-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]benzenesulfonamide (PubChem CID 162674365) has the molecular formula C15H11N3O5S and a molecular weight of 345.34 g/mol. Its IUPAC name is 3-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]benzenesulfonamide
PubChem CID162674365
Molecular FormulaC15H11N3O5S
Molecular Weight345.34 g/mol
Exact Mass345.04
IUPAC Name3-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(/N=N/c2cc3ccc(=O)oc3cc2O)c1
InChIInChI=1S/C15H11N3O5S/c16-24(21,22)11-3-1-2-10(7-11)17-18-12-6-9-4-5-15(20)23-14(9)8-13(12)19/h1-8,19H,(H2,16,21,22)/b18-17+
InChIKeyLRHZODJAXYMZJL-ISLYRVAYSA-N
XLogP2.56
TPSA135.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 52.56
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 3-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]benzenesulfonamide (CID 162674365) is 3-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 3-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 3-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]benzenesulfonamide is NS(=O)(=O)c1cccc(/N=N/c2cc3ccc(=O)oc3cc2O)c1.
What is the InChIKey of 3-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]benzenesulfonamide?
The InChIKey is LRHZODJAXYMZJL-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H11N3O5S/c16-24(21,22)11-3-1-2-10(7-11)17-18-12-6-9-4-5-15(20)23-14(9)8-13(12)19/h1-8,19H,(H2,16,21,22)/b18-17+.
What are the key properties of 3-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]benzenesulfonamide?
3-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]benzenesulfonamide has a molecular weight of 345.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-hydroxy-2-oxochromen-6-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 162674365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).