4-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]benzoic acid

C13H11ClN2O4S — CID 91644529

IUPAC4-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cnc1Cl
InChIInChI=1S/C13H11ClN2O4S/c1-8-6-10(7-15-12(8)14)16-21(19,20)11-4-2-9(3-5-11)13(17)18/h2-7,16H,1H3,(H,17,18)
InChIKeyPIYAERFNQJDLDJ-UHFFFAOYSA-N
MW326.76 g/mol
LogP2.54
Rot. Bonds4

About 4-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]benzoic acid

4-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]benzoic acid (PubChem CID 91644529) has the molecular formula C13H11ClN2O4S and a molecular weight of 326.76 g/mol. Its IUPAC name is 4-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
PubChem CID91644529
Molecular FormulaC13H11ClN2O4S
Molecular Weight326.76 g/mol
Exact Mass326.01
IUPAC Name4-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cnc1Cl
InChIInChI=1S/C13H11ClN2O4S/c1-8-6-10(7-15-12(8)14)16-21(19,20)11-4-2-9(3-5-11)13(17)18/h2-7,16H,1H3,(H,17,18)
InChIKeyPIYAERFNQJDLDJ-UHFFFAOYSA-N
XLogP2.54
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]benzoic 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 4-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]benzoic acid (CID 91644529) is 4-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]benzoic acid is Cc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cnc1Cl.
What is the InChIKey of 4-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]benzoic acid?
The InChIKey is PIYAERFNQJDLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4S/c1-8-6-10(7-15-12(8)14)16-21(19,20)11-4-2-9(3-5-11)13(17)18/h2-7,16H,1H3,(H,17,18).
What are the key properties of 4-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]benzoic acid?
4-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]benzoic acid has a molecular weight of 326.76 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 91644529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).