2-hydroxy-5-[[4-(pyridine-3-carbonylsulfamoyl)phenyl]diazenyl]benzoic acid

C19H14N4O6S — CID 137245351

IUPAC2-hydroxy-5-[[4-(pyridine-3-carbonylsulfamoyl)phenyl]diazenyl]benzoic acid
SMILESO=C(NS(=O)(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1)c1cccnc1
InChIInChI=1S/C19H14N4O6S/c24-17-8-5-14(10-16(17)19(26)27)22-21-13-3-6-15(7-4-13)30(28,29)23-18(25)12-2-1-9-20-11-12/h1-11,24H,(H,23,25)(H,26,27)/b22-21+
InChIKeyRLSYEZBGPBEBEQ-QURGRASLSA-N
MW426.41 g/mol
LogP3.02
Rot. Bonds6

About 2-hydroxy-5-[[4-(pyridine-3-carbonylsulfamoyl)phenyl]diazenyl]benzoic acid

2-hydroxy-5-[[4-(pyridine-3-carbonylsulfamoyl)phenyl]diazenyl]benzoic acid (PubChem CID 137245351) has the molecular formula C19H14N4O6S and a molecular weight of 426.41 g/mol. Its IUPAC name is 2-hydroxy-5-[[4-(pyridine-3-carbonylsulfamoyl)phenyl]diazenyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[[4-(pyridine-3-carbonylsulfamoyl)phenyl]diazenyl]benzoic acid
PubChem CID137245351
Molecular FormulaC19H14N4O6S
Molecular Weight426.41 g/mol
Exact Mass426.06
IUPAC Name2-hydroxy-5-[[4-(pyridine-3-carbonylsulfamoyl)phenyl]diazenyl]benzoic acid
SMILESO=C(NS(=O)(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1)c1cccnc1
InChIInChI=1S/C19H14N4O6S/c24-17-8-5-14(10-16(17)19(26)27)22-21-13-3-6-15(7-4-13)30(28,29)23-18(25)12-2-1-9-20-11-12/h1-11,24H,(H,23,25)(H,26,27)/b22-21+
InChIKeyRLSYEZBGPBEBEQ-QURGRASLSA-N
XLogP3.02
TPSA158.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-(pyridine-3-carbonylsulfamoyl)phenyl]diazenyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[[4-(pyridine-3-carbonylsulfamoyl)phenyl]diazenyl]benzoic acid (CID 137245351) is 2-hydroxy-5-[[4-(pyridine-3-carbonylsulfamoyl)phenyl]diazenyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[[4-(pyridine-3-carbonylsulfamoyl)phenyl]diazenyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[[4-(pyridine-3-carbonylsulfamoyl)phenyl]diazenyl]benzoic acid is O=C(NS(=O)(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1)c1cccnc1.
What is the InChIKey of 2-hydroxy-5-[[4-(pyridine-3-carbonylsulfamoyl)phenyl]diazenyl]benzoic acid?
The InChIKey is RLSYEZBGPBEBEQ-QURGRASLSA-N. The full InChI is InChI=1S/C19H14N4O6S/c24-17-8-5-14(10-16(17)19(26)27)22-21-13-3-6-15(7-4-13)30(28,29)23-18(25)12-2-1-9-20-11-12/h1-11,24H,(H,23,25)(H,26,27)/b22-21+.
What are the key properties of 2-hydroxy-5-[[4-(pyridine-3-carbonylsulfamoyl)phenyl]diazenyl]benzoic acid?
2-hydroxy-5-[[4-(pyridine-3-carbonylsulfamoyl)phenyl]diazenyl]benzoic acid has a molecular weight of 426.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[[4-(pyridine-3-carbonylsulfamoyl)phenyl]diazenyl]benzoic acid is sourced from PubChem (CID 137245351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).