2-oxo-6-[4-(pyridin-3-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxylic acid

C17H13N3O5S — CID 22750275

IUPAC2-oxo-6-[4-(pyridin-3-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(S(=O)(=O)Nc3cccnc3)cc2)[nH]c1=O
InChIInChI=1S/C17H13N3O5S/c21-16-14(17(22)23)7-8-15(19-16)11-3-5-13(6-4-11)26(24,25)20-12-2-1-9-18-10-12/h1-10,20H,(H,19,21)(H,22,23)
InChIKeyQHWPNANNWFBDGK-UHFFFAOYSA-N
MW371.37 g/mol
LogP1.94
Rot. Bonds5

About 2-oxo-6-[4-(pyridin-3-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxylic acid

2-oxo-6-[4-(pyridin-3-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxylic acid (PubChem CID 22750275) has the molecular formula C17H13N3O5S and a molecular weight of 371.37 g/mol. Its IUPAC name is 2-oxo-6-[4-(pyridin-3-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-6-[4-(pyridin-3-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxylic acid
PubChem CID22750275
Molecular FormulaC17H13N3O5S
Molecular Weight371.37 g/mol
Exact Mass371.06
IUPAC Name2-oxo-6-[4-(pyridin-3-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(S(=O)(=O)Nc3cccnc3)cc2)[nH]c1=O
InChIInChI=1S/C17H13N3O5S/c21-16-14(17(22)23)7-8-15(19-16)11-3-5-13(6-4-11)26(24,25)20-12-2-1-9-18-10-12/h1-10,20H,(H,19,21)(H,22,23)
InChIKeyQHWPNANNWFBDGK-UHFFFAOYSA-N
XLogP1.94
TPSA129.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(chloromethyl)-6-oxo-1H-pyridin-2-yl]-N-pyridin-3-ylbenzenesulfonamide
CID 22750321
2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]-1H-pyridine-3-carbonyl chloride
CID 54227109
N-[3-(benzenesulfonamido)phenyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 60514402
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329
ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid
CID 91141021
N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 119055344
5-(benzenesulfonamido)-2-chloro-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 43904807
6-oxo-N-pyridin-3-yl-1H-pyridine-3-sulfonamide
CID 43629054
2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid
CID 63742304
1-chloro-2-oxo-6-[3-(pyridin-3-ylsulfonylamino)phenyl]pyridine-3-carboxylic acid
CID 88747393
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid
CID 115296023

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-[4-(pyridin-3-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-6-[4-(pyridin-3-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxylic acid (CID 22750275) is 2-oxo-6-[4-(pyridin-3-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-6-[4-(pyridin-3-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-6-[4-(pyridin-3-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2ccc(S(=O)(=O)Nc3cccnc3)cc2)[nH]c1=O.
What is the InChIKey of 2-oxo-6-[4-(pyridin-3-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxylic acid?
The InChIKey is QHWPNANNWFBDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5S/c21-16-14(17(22)23)7-8-15(19-16)11-3-5-13(6-4-11)26(24,25)20-12-2-1-9-18-10-12/h1-10,20H,(H,19,21)(H,22,23).
What are the key properties of 2-oxo-6-[4-(pyridin-3-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxylic acid?
2-oxo-6-[4-(pyridin-3-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxylic acid has a molecular weight of 371.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-[4-(pyridin-3-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 22750275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).