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

C13H12N4O5S — CID 10711889

IUPAC6-[(4-sulfamoylanilino)carbamoyl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NNC(=O)c2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C13H12N4O5S/c14-23(21,22)9-6-4-8(5-7-9)16-17-12(18)10-2-1-3-11(15-10)13(19)20/h1-7,16H,(H,17,18)(H,19,20)(H2,14,21,22)
InChIKeyFKTNCKXXKAXFKI-UHFFFAOYSA-N
MW336.33 g/mol
LogP0.18
Rot. Bonds5

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

6-[(4-sulfamoylanilino)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 10711889) has the molecular formula C13H12N4O5S and a molecular weight of 336.33 g/mol. Its IUPAC name is 6-[(4-sulfamoylanilino)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-sulfamoylanilino)carbamoyl]pyridine-2-carboxylic acid
PubChem CID10711889
Molecular FormulaC13H12N4O5S
Molecular Weight336.33 g/mol
Exact Mass336.05
IUPAC Name6-[(4-sulfamoylanilino)carbamoyl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NNC(=O)c2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C13H12N4O5S/c14-23(21,22)9-6-4-8(5-7-9)16-17-12(18)10-2-1-3-11(15-10)13(19)20/h1-7,16H,(H,17,18)(H,19,20)(H2,14,21,22)
InChIKeyFKTNCKXXKAXFKI-UHFFFAOYSA-N
XLogP0.18
TPSA151.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-sulfamoylanilino)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-sulfamoylanilino)carbamoyl]pyridine-2-carboxylic acid (CID 10711889) is 6-[(4-sulfamoylanilino)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-sulfamoylanilino)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-sulfamoylanilino)carbamoyl]pyridine-2-carboxylic acid is NS(=O)(=O)c1ccc(NNC(=O)c2cccc(C(=O)O)n2)cc1.
What is the InChIKey of 6-[(4-sulfamoylanilino)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is FKTNCKXXKAXFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O5S/c14-23(21,22)9-6-4-8(5-7-9)16-17-12(18)10-2-1-3-11(15-10)13(19)20/h1-7,16H,(H,17,18)(H,19,20)(H2,14,21,22).
What are the key properties of 6-[(4-sulfamoylanilino)carbamoyl]pyridine-2-carboxylic acid?
6-[(4-sulfamoylanilino)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 336.33 g/mol, XLogP of 0.18, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-sulfamoylanilino)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 10711889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).