3-[(4-hydroxyphenyl)diazenyl]benzenesulfonamide

C12H11N3O3S — CID 135932620

IUPAC3-[(4-hydroxyphenyl)diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(/N=N/c2ccc(O)cc2)c1
InChIInChI=1S/C12H11N3O3S/c13-19(17,18)12-3-1-2-10(8-12)15-14-9-4-6-11(16)7-5-9/h1-8,16H,(H2,13,17,18)/b15-14+
InChIKeyHJVKSSWMWPZDOV-CCEZHUSRSA-N
MW277.31 g/mol
LogP2.45
Rot. Bonds3

About 3-[(4-hydroxyphenyl)diazenyl]benzenesulfonamide

3-[(4-hydroxyphenyl)diazenyl]benzenesulfonamide (PubChem CID 135932620) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)diazenyl]benzenesulfonamide
PubChem CID135932620
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name3-[(4-hydroxyphenyl)diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(/N=N/c2ccc(O)cc2)c1
InChIInChI=1S/C12H11N3O3S/c13-19(17,18)12-3-1-2-10(8-12)15-14-9-4-6-11(16)7-5-9/h1-8,16H,(H2,13,17,18)/b15-14+
InChIKeyHJVKSSWMWPZDOV-CCEZHUSRSA-N
XLogP2.45
TPSA105.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-[(4-hydroxyphenyl)diazenyl]benzenesulfonamide?
The IUPAC name of 3-[(4-hydroxyphenyl)diazenyl]benzenesulfonamide (CID 135932620) is 3-[(4-hydroxyphenyl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 3-[(4-hydroxyphenyl)diazenyl]benzenesulfonamide?
The canonical SMILES for 3-[(4-hydroxyphenyl)diazenyl]benzenesulfonamide is NS(=O)(=O)c1cccc(/N=N/c2ccc(O)cc2)c1.
What is the InChIKey of 3-[(4-hydroxyphenyl)diazenyl]benzenesulfonamide?
The InChIKey is HJVKSSWMWPZDOV-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H11N3O3S/c13-19(17,18)12-3-1-2-10(8-12)15-14-9-4-6-11(16)7-5-9/h1-8,16H,(H2,13,17,18)/b15-14+.
What are the key properties of 3-[(4-hydroxyphenyl)diazenyl]benzenesulfonamide?
3-[(4-hydroxyphenyl)diazenyl]benzenesulfonamide has a molecular weight of 277.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 135932620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).