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

C13H11N3O5S — CID 10805708

IUPAC6-[(2-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1ccccc1NC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C13H11N3O5S/c14-22(20,21)11-7-2-1-4-8(11)16-12(17)9-5-3-6-10(15-9)13(18)19/h1-7H,(H,16,17)(H,18,19)(H2,14,20,21)
InChIKeyMRPXMWLZGFSKBH-UHFFFAOYSA-N
MW321.31 g/mol
LogP0.68
Rot. Bonds4

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

6-[(2-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 10805708) has the molecular formula C13H11N3O5S and a molecular weight of 321.31 g/mol. Its IUPAC name is 6-[(2-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID10805708
Molecular FormulaC13H11N3O5S
Molecular Weight321.31 g/mol
Exact Mass321.04
IUPAC Name6-[(2-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1ccccc1NC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C13H11N3O5S/c14-22(20,21)11-7-2-1-4-8(11)16-12(17)9-5-3-6-10(15-9)13(18)19/h1-7H,(H,16,17)(H,18,19)(H2,14,20,21)
InChIKeyMRPXMWLZGFSKBH-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-[(2-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 10805708) is 6-[(2-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid is NS(=O)(=O)c1ccccc1NC(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(2-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is MRPXMWLZGFSKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5S/c14-22(20,21)11-7-2-1-4-8(11)16-12(17)9-5-3-6-10(15-9)13(18)19/h1-7H,(H,16,17)(H,18,19)(H2,14,20,21).
What are the key properties of 6-[(2-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
6-[(2-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-[(2-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 10805708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).