6-[(3-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid

C13H11N3O5S — CID 10687216

IUPAC6-[(3-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cccc(C(=O)O)n2)c1
InChIInChI=1S/C13H11N3O5S/c14-22(20,21)9-4-1-3-8(7-9)15-12(17)10-5-2-6-11(16-10)13(18)19/h1-7H,(H,15,17)(H,18,19)(H2,14,20,21)
InChIKeyXOQNQFOEMKYREV-UHFFFAOYSA-N
MW321.31 g/mol
LogP0.68
Rot. Bonds4

About 6-[(3-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid

6-[(3-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 10687216) has the molecular formula C13H11N3O5S and a molecular weight of 321.31 g/mol. Its IUPAC name is 6-[(3-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID10687216
Molecular FormulaC13H11N3O5S
Molecular Weight321.31 g/mol
Exact Mass321.04
IUPAC Name6-[(3-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cccc(C(=O)O)n2)c1
InChIInChI=1S/C13H11N3O5S/c14-22(20,21)9-4-1-3-8(7-9)15-12(17)10-5-2-6-11(16-10)13(18)19/h1-7H,(H,15,17)(H,18,19)(H2,14,20,21)
InChIKeyXOQNQFOEMKYREV-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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Frequently Asked Questions

What is the IUPAC name of 6-[(3-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 10687216) is 6-[(3-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid is NS(=O)(=O)c1cccc(NC(=O)c2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-[(3-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is XOQNQFOEMKYREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5S/c14-22(20,21)9-4-1-3-8(7-9)15-12(17)10-5-2-6-11(16-10)13(18)19/h1-7H,(H,15,17)(H,18,19)(H2,14,20,21).
What are the key properties of 6-[(3-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
6-[(3-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-[(3-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 10687216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).