2-hydroxy-5-[[4-(pyridin-3-ylsulfamoyl)phenyl]diazenyl]benzoic acid

C18H14N4O5S — CID 135922442

IUPAC2-hydroxy-5-[[4-(pyridin-3-ylsulfamoyl)phenyl]diazenyl]benzoic acid
SMILESO=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)ccc1O
InChIInChI=1S/C18H14N4O5S/c23-17-8-5-13(10-16(17)18(24)25)21-20-12-3-6-15(7-4-12)28(26,27)22-14-2-1-9-19-11-14/h1-11,22-23H,(H,24,25)/b21-20+
InChIKeyOBZRSTPTYSUKCF-QZQOTICOSA-N
MW398.40 g/mol
LogP3.70
Rot. Bonds6

About 2-hydroxy-5-[[4-(pyridin-3-ylsulfamoyl)phenyl]diazenyl]benzoic acid

2-hydroxy-5-[[4-(pyridin-3-ylsulfamoyl)phenyl]diazenyl]benzoic acid (PubChem CID 135922442) has the molecular formula C18H14N4O5S and a molecular weight of 398.40 g/mol. Its IUPAC name is 2-hydroxy-5-[[4-(pyridin-3-ylsulfamoyl)phenyl]diazenyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[[4-(pyridin-3-ylsulfamoyl)phenyl]diazenyl]benzoic acid
PubChem CID135922442
Molecular FormulaC18H14N4O5S
Molecular Weight398.40 g/mol
Exact Mass398.07
IUPAC Name2-hydroxy-5-[[4-(pyridin-3-ylsulfamoyl)phenyl]diazenyl]benzoic acid
SMILESO=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)ccc1O
InChIInChI=1S/C18H14N4O5S/c23-17-8-5-13(10-16(17)18(24)25)21-20-12-3-6-15(7-4-12)28(26,27)22-14-2-1-9-19-11-14/h1-11,22-23H,(H,24,25)/b21-20+
InChIKeyOBZRSTPTYSUKCF-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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[[4-(pyridin-3-ylsulfamoyl)phenyl]diazenyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[[4-(pyridin-3-ylsulfamoyl)phenyl]diazenyl]benzoic acid (CID 135922442) is 2-hydroxy-5-[[4-(pyridin-3-ylsulfamoyl)phenyl]diazenyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[[4-(pyridin-3-ylsulfamoyl)phenyl]diazenyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[[4-(pyridin-3-ylsulfamoyl)phenyl]diazenyl]benzoic acid is O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[[4-(pyridin-3-ylsulfamoyl)phenyl]diazenyl]benzoic acid?
The InChIKey is OBZRSTPTYSUKCF-QZQOTICOSA-N. The full InChI is InChI=1S/C18H14N4O5S/c23-17-8-5-13(10-16(17)18(24)25)21-20-12-3-6-15(7-4-12)28(26,27)22-14-2-1-9-19-11-14/h1-11,22-23H,(H,24,25)/b21-20+.
What are the key properties of 2-hydroxy-5-[[4-(pyridin-3-ylsulfamoyl)phenyl]diazenyl]benzoic acid?
2-hydroxy-5-[[4-(pyridin-3-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-3-ylsulfamoyl)phenyl]diazenyl]benzoic acid is sourced from PubChem (CID 135922442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).