2-amino-4-[2-(benzenesulfonyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid

C19H14N2O7S — CID 169406058

IUPAC2-amino-4-[2-(benzenesulfonyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2ccccc2S(=O)(=O)c2ccccc2)c1C(=O)O
InChIInChI=1S/C19H14N2O7S/c20-16-14(18(23)24)13(15(19(25)26)17(22)21-16)11-8-4-5-9-12(11)29(27,28)10-6-2-1-3-7-10/h1-9H,(H,23,24)(H,25,26)(H3,20,21,22)
InChIKeyZGZFELMJSYXUTI-UHFFFAOYSA-N
MW414.40 g/mol
LogP1.85
Rot. Bonds5

About 2-amino-4-[2-(benzenesulfonyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid

2-amino-4-[2-(benzenesulfonyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169406058) has the molecular formula C19H14N2O7S and a molecular weight of 414.40 g/mol. Its IUPAC name is 2-amino-4-[2-(benzenesulfonyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-[2-(benzenesulfonyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169406058
Molecular FormulaC19H14N2O7S
Molecular Weight414.40 g/mol
Exact Mass414.05
IUPAC Name2-amino-4-[2-(benzenesulfonyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2ccccc2S(=O)(=O)c2ccccc2)c1C(=O)O
InChIInChI=1S/C19H14N2O7S/c20-16-14(18(23)24)13(15(19(25)26)17(22)21-16)11-8-4-5-9-12(11)29(27,28)10-6-2-1-3-7-10/h1-9H,(H,23,24)(H,25,26)(H3,20,21,22)
InChIKeyZGZFELMJSYXUTI-UHFFFAOYSA-N
XLogP1.85
TPSA167.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-oxo-4-(2-sulfophenyl)-1H-pyridine-3,5-dicarboxylic acid
CID 169405007
2-amino-4-(2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404968
2-amino-4-[4-(2-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405394
2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405271
2-amino-4-(4-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404976
1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene
CID 19980732
2-amino-4-[2-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407952
2-amino-4-[2-[(dibutylamino)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405681
2-amino-4-[2-[2-(dimethylamino)ethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406692
2-amino-4-[2-(4-ethoxycarbonylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407671
2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405053
2-amino-4-[2-[(4-chlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406089

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(benzenesulfonyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-[2-(benzenesulfonyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169406058) is 2-amino-4-[2-(benzenesulfonyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-[2-(benzenesulfonyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-[2-(benzenesulfonyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is Nc1[nH]c(=O)c(C(=O)O)c(-c2ccccc2S(=O)(=O)c2ccccc2)c1C(=O)O.
What is the InChIKey of 2-amino-4-[2-(benzenesulfonyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is ZGZFELMJSYXUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O7S/c20-16-14(18(23)24)13(15(19(25)26)17(22)21-16)11-8-4-5-9-12(11)29(27,28)10-6-2-1-3-7-10/h1-9H,(H,23,24)(H,25,26)(H3,20,21,22).
What are the key properties of 2-amino-4-[2-(benzenesulfonyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-[2-(benzenesulfonyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 414.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(benzenesulfonyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169406058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).