2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide

C13H12ClN3O3S — CID 3361061

IUPAC2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C13H12ClN3O3S/c14-12-11(2-1-7-16-12)13(18)17-8-9-3-5-10(6-4-9)21(15,19)20/h1-7H,8H2,(H,17,18)(H2,15,19,20)
InChIKeyMYCHMDDPNXGXTH-UHFFFAOYSA-N
MW325.78 g/mol
LogP1.31
Rot. Bonds4

About 2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide

2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 3361061) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is 2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
PubChem CID3361061
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC Name2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C13H12ClN3O3S/c14-12-11(2-1-7-16-12)13(18)17-8-9-3-5-10(6-4-9)21(15,19)20/h1-7H,8H2,(H,17,18)(H2,15,19,20)
InChIKeyMYCHMDDPNXGXTH-UHFFFAOYSA-N
XLogP1.31
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide 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 2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide (CID 3361061) is 2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cccnc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is MYCHMDDPNXGXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c14-12-11(2-1-7-16-12)13(18)17-8-9-3-5-10(6-4-9)21(15,19)20/h1-7H,8H2,(H,17,18)(H2,15,19,20).
What are the key properties of 2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide?
2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 325.78 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 3361061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).