4-[(6-hydroxyquinolin-5-yl)diazenyl]benzenesulfonamide

C15H12N4O3S — CID 171904859

IUPAC4-[(6-hydroxyquinolin-5-yl)diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)ccc3ncccc23)cc1
InChIInChI=1S/C15H12N4O3S/c16-23(21,22)11-5-3-10(4-6-11)18-19-15-12-2-1-9-17-13(12)7-8-14(15)20/h1-9,20H,(H2,16,21,22)/b19-18+
InChIKeyJPXIVCBAWCGHIF-VHEBQXMUSA-N
MW328.35 g/mol
LogP3.00
Rot. Bonds3

About 4-[(6-hydroxyquinolin-5-yl)diazenyl]benzenesulfonamide

4-[(6-hydroxyquinolin-5-yl)diazenyl]benzenesulfonamide (PubChem CID 171904859) has the molecular formula C15H12N4O3S and a molecular weight of 328.35 g/mol. Its IUPAC name is 4-[(6-hydroxyquinolin-5-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(6-hydroxyquinolin-5-yl)diazenyl]benzenesulfonamide
PubChem CID171904859
Molecular FormulaC15H12N4O3S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC Name4-[(6-hydroxyquinolin-5-yl)diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(O)ccc3ncccc23)cc1
InChIInChI=1S/C15H12N4O3S/c16-23(21,22)11-5-3-10(4-6-11)18-19-15-12-2-1-9-17-13(12)7-8-14(15)20/h1-9,20H,(H2,16,21,22)/b19-18+
InChIKeyJPXIVCBAWCGHIF-VHEBQXMUSA-N
XLogP3.00
TPSA118.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-hydroxyquinolin-5-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(6-hydroxyquinolin-5-yl)diazenyl]benzenesulfonamide (CID 171904859) is 4-[(6-hydroxyquinolin-5-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(6-hydroxyquinolin-5-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(6-hydroxyquinolin-5-yl)diazenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=N/c2c(O)ccc3ncccc23)cc1.
What is the InChIKey of 4-[(6-hydroxyquinolin-5-yl)diazenyl]benzenesulfonamide?
The InChIKey is JPXIVCBAWCGHIF-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H12N4O3S/c16-23(21,22)11-5-3-10(4-6-11)18-19-15-12-2-1-9-17-13(12)7-8-14(15)20/h1-9,20H,(H2,16,21,22)/b19-18+.
What are the key properties of 4-[(6-hydroxyquinolin-5-yl)diazenyl]benzenesulfonamide?
4-[(6-hydroxyquinolin-5-yl)diazenyl]benzenesulfonamide has a molecular weight of 328.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-hydroxyquinolin-5-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 171904859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).