5-hydroxy-4-oxo-1-[[4-(4-sulfamoylphenyl)phenyl]methyl]pyridine-3-carboxylic acid

C19H16N2O6S — CID 121005817

IUPAC5-hydroxy-4-oxo-1-[[4-(4-sulfamoylphenyl)phenyl]methyl]pyridine-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(-c2ccc(Cn3cc(O)c(=O)c(C(=O)O)c3)cc2)cc1
InChIInChI=1S/C19H16N2O6S/c20-28(26,27)15-7-5-14(6-8-15)13-3-1-12(2-4-13)9-21-10-16(19(24)25)18(23)17(22)11-21/h1-8,10-11,22H,9H2,(H,24,25)(H2,20,26,27)
InChIKeyITQGYJSLTCSCLX-UHFFFAOYSA-N
MW400.41 g/mol
LogP1.61
Rot. Bonds5

About 5-hydroxy-4-oxo-1-[[4-(4-sulfamoylphenyl)phenyl]methyl]pyridine-3-carboxylic acid

5-hydroxy-4-oxo-1-[[4-(4-sulfamoylphenyl)phenyl]methyl]pyridine-3-carboxylic acid (PubChem CID 121005817) has the molecular formula C19H16N2O6S and a molecular weight of 400.41 g/mol. Its IUPAC name is 5-hydroxy-4-oxo-1-[[4-(4-sulfamoylphenyl)phenyl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-oxo-1-[[4-(4-sulfamoylphenyl)phenyl]methyl]pyridine-3-carboxylic acid
PubChem CID121005817
Molecular FormulaC19H16N2O6S
Molecular Weight400.41 g/mol
Exact Mass400.07
IUPAC Name5-hydroxy-4-oxo-1-[[4-(4-sulfamoylphenyl)phenyl]methyl]pyridine-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(-c2ccc(Cn3cc(O)c(=O)c(C(=O)O)c3)cc2)cc1
InChIInChI=1S/C19H16N2O6S/c20-28(26,27)15-7-5-14(6-8-15)13-3-1-12(2-4-13)9-21-10-16(19(24)25)18(23)17(22)11-21/h1-8,10-11,22H,9H2,(H,24,25)(H2,20,26,27)
InChIKeyITQGYJSLTCSCLX-UHFFFAOYSA-N
XLogP1.61
TPSA139.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-oxo-1-[[4-(4-sulfamoylphenyl)phenyl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-4-oxo-1-[[4-(4-sulfamoylphenyl)phenyl]methyl]pyridine-3-carboxylic acid (CID 121005817) is 5-hydroxy-4-oxo-1-[[4-(4-sulfamoylphenyl)phenyl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-oxo-1-[[4-(4-sulfamoylphenyl)phenyl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-oxo-1-[[4-(4-sulfamoylphenyl)phenyl]methyl]pyridine-3-carboxylic acid is NS(=O)(=O)c1ccc(-c2ccc(Cn3cc(O)c(=O)c(C(=O)O)c3)cc2)cc1.
What is the InChIKey of 5-hydroxy-4-oxo-1-[[4-(4-sulfamoylphenyl)phenyl]methyl]pyridine-3-carboxylic acid?
The InChIKey is ITQGYJSLTCSCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6S/c20-28(26,27)15-7-5-14(6-8-15)13-3-1-12(2-4-13)9-21-10-16(19(24)25)18(23)17(22)11-21/h1-8,10-11,22H,9H2,(H,24,25)(H2,20,26,27).
What are the key properties of 5-hydroxy-4-oxo-1-[[4-(4-sulfamoylphenyl)phenyl]methyl]pyridine-3-carboxylic acid?
5-hydroxy-4-oxo-1-[[4-(4-sulfamoylphenyl)phenyl]methyl]pyridine-3-carboxylic acid has a molecular weight of 400.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-oxo-1-[[4-(4-sulfamoylphenyl)phenyl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 121005817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).