2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid

C18H14N4O5S — CID 5339

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IUPAC2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid
SMILESO=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O
InChIInChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+
InChIKeyNCEXYHBECQHGNR-QZQOTICOSA-N
MW398.40 g/mol
LogP3.70
Rot. Bonds6

About 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid

2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid (PubChem CID 5339) has the molecular formula C18H14N4O5S and a molecular weight of 398.40 g/mol. Its IUPAC name is 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid
PubChem CID5339
Molecular FormulaC18H14N4O5S
Molecular Weight398.40 g/mol
Exact Mass398.07
IUPAC Name2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid
SMILESO=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O
InChIInChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+
InChIKeyNCEXYHBECQHGNR-QZQOTICOSA-N
XLogP3.70
TPSA141.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-(4-Hydroxy-3,5-Dimethylphenyl)diazenyl]-N-(Pyridin-2-Yl)benzenesulfonamide
CID 135566898
Salazosulfadimidine
CID 71111
Susalimod
CID 3086668
6-[[4-[(4-Hydroxy-3,5-dimethylphenyl)diazenyl]phenyl]sulfonylamino]pyridine-3-carboxylic acid
CID 136226504
4-[(4-hydroxy-3-methylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 136002815
4-[[4-hydroxy-3-(trifluoromethyl)phenyl]diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 136174600
2-hydroxy-3-((4-(N-pyridin-2-ylsulfamoyl)phenyl)diazenyl)-1-naphthoic acid
CID 281362
2-Hydroxy-5-(quinolin-8-ylsulfonylamino)benzoic acid
CID 975253
Methyl 2-hydroxy-5-[[4-[(2-pyridinylamino)sulfonyl]phenyl]ethynyl]benzoate
CID 19423375
2-hydroxy-5-[(E)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethenyl]benzoic acid
CID 19423377
methyl 2-hydroxy-5-[(E)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]ethenyl]benzoate
CID 19423407
2-Hydroxy-5-[2-[4-[(2-pyridinylamino)sulfonyl]phenyl]ethyl]benzoic acid
CID 19423412

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid (CID 5339) is 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid is O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid?
The InChIKey is NCEXYHBECQHGNR-QZQOTICOSA-N. The full InChI is InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+.
What are the key properties of 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid?
2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid has a molecular weight of 398.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid is sourced from PubChem (CID 5339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).