6-[(4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid

C13H11N3O5S — CID 10567759

IUPAC6-[(4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C13H11N3O5S/c14-22(20,21)9-6-4-8(5-7-9)15-12(17)10-2-1-3-11(16-10)13(18)19/h1-7H,(H,15,17)(H,18,19)(H2,14,20,21)
InChIKeyXRNPXYNKULDSIQ-UHFFFAOYSA-N
MW321.31 g/mol
LogP0.68
Rot. Bonds4

About 6-[(4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid

6-[(4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 10567759) has the molecular formula C13H11N3O5S and a molecular weight of 321.31 g/mol. Its IUPAC name is 6-[(4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID10567759
Molecular FormulaC13H11N3O5S
Molecular Weight321.31 g/mol
Exact Mass321.04
IUPAC Name6-[(4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C13H11N3O5S/c14-22(20,21)9-6-4-8(5-7-9)15-12(17)10-2-1-3-11(16-10)13(18)19/h1-7H,(H,15,17)(H,18,19)(H2,14,20,21)
InChIKeyXRNPXYNKULDSIQ-UHFFFAOYSA-N
XLogP0.68
TPSA139.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-Fluoro-4-sulfamoyl-phenylcarbamoyl)-pyridine-2-carboxylic acid
CID 10497272
6-(5-Chloro-2,4-disulfamoyl-phenylcarbamoyl)-pyridine-2-carboxylic acid
CID 10502993
6-(2-Bromo-4-sulfamoyl-phenylcarbamoyl)-pyridine-2-carboxylic acid
CID 10573046
6-(2-Iodo-4-sulfamoyl-phenylcarbamoyl)-pyridine-2-carboxylic acid
CID 10623288
6-{[2-(4-Sulfamoylphenyl)ethyl]carbamoyl}pyridine-2-carboxylic acid
CID 10665468
6-(3-Sulfamoyl-phenylcarbamoyl)-pyridine-2-carboxylic acid
CID 10687216
6-[N''-(4-Sulfamoyl-phenyl)-hydrazinocarbonyl]-pyridine-2-carboxylic acid
CID 10711889
6-(2-Chloro-4-sulfamoyl-phenylcarbamoyl)-pyridine-2-carboxylic acid
CID 10713226
6-(4-Sulfamoyl-benzylcarbamoyl)-pyridine-2-carboxylic acid
CID 10759222
6-(2-Sulfamoyl-phenylcarbamoyl)-pyridine-2-carboxylic acid
CID 10805708
6-[2-(4-Sulfamoyl-phenyl)-ethoxycarbamoyl]-pyridine-2-carboxylic acid
CID 44322583
6-(4-Sulfamoyl-benzyloxycarbamoyl)-pyridine-2-carboxylic acid
CID 44322584

Frequently Asked Questions

What is the IUPAC name of 6-[(4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 10567759) is 6-[(4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid is NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)cc1.
What is the InChIKey of 6-[(4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is XRNPXYNKULDSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5S/c14-22(20,21)9-6-4-8(5-7-9)15-12(17)10-2-1-3-11(16-10)13(18)19/h1-7H,(H,15,17)(H,18,19)(H2,14,20,21).
What are the key properties of 6-[(4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
6-[(4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 321.31 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 10567759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).