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

C13H10IN3O5S — CID 10623288

IUPAC6-[(2-iodo-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)c(I)c1
InChIInChI=1S/C13H10IN3O5S/c14-8-6-7(23(15,21)22)4-5-9(8)17-12(18)10-2-1-3-11(16-10)13(19)20/h1-6H,(H,17,18)(H,19,20)(H2,15,21,22)
InChIKeyBXYDCMJPWMOWSF-UHFFFAOYSA-N
MW447.21 g/mol
LogP1.28
Rot. Bonds4

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

6-[(2-iodo-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 10623288) has the molecular formula C13H10IN3O5S and a molecular weight of 447.21 g/mol. Its IUPAC name is 6-[(2-iodo-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-iodo-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID10623288
Molecular FormulaC13H10IN3O5S
Molecular Weight447.21 g/mol
Exact Mass446.94
IUPAC Name6-[(2-iodo-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)c(I)c1
InChIInChI=1S/C13H10IN3O5S/c14-8-6-7(23(15,21)22)4-5-9(8)17-12(18)10-2-1-3-11(16-10)13(19)20/h1-6H,(H,17,18)(H,19,20)(H2,15,21,22)
InChIKeyBXYDCMJPWMOWSF-UHFFFAOYSA-N
XLogP1.28
TPSA139.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.21
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-[(2-iodo-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2-iodo-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-iodo-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 10623288) is 6-[(2-iodo-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-iodo-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-iodo-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid is NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)O)n2)c(I)c1.
What is the InChIKey of 6-[(2-iodo-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is BXYDCMJPWMOWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN3O5S/c14-8-6-7(23(15,21)22)4-5-9(8)17-12(18)10-2-1-3-11(16-10)13(19)20/h1-6H,(H,17,18)(H,19,20)(H2,15,21,22).
What are the key properties of 6-[(2-iodo-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid?
6-[(2-iodo-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 447.21 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-iodo-4-sulfamoylphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 10623288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).