2-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-3-sulfonamide

C13H10ClN3O3S — CID 61051825

IUPAC2-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-3-sulfonamide
SMILESN#CCOc1cccc(NS(=O)(=O)c2cccnc2Cl)c1
InChIInChI=1S/C13H10ClN3O3S/c14-13-12(5-2-7-16-13)21(18,19)17-10-3-1-4-11(9-10)20-8-6-15/h1-5,7,9,17H,8H2
InChIKeyJOSUSIBYXVLBOK-UHFFFAOYSA-N
MW323.76 g/mol
LogP2.44
Rot. Bonds5

About 2-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-3-sulfonamide

2-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-3-sulfonamide (PubChem CID 61051825) has the molecular formula C13H10ClN3O3S and a molecular weight of 323.76 g/mol. Its IUPAC name is 2-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-3-sulfonamide
PubChem CID61051825
Molecular FormulaC13H10ClN3O3S
Molecular Weight323.76 g/mol
Exact Mass323.01
IUPAC Name2-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-3-sulfonamide
SMILESN#CCOc1cccc(NS(=O)(=O)c2cccnc2Cl)c1
InChIInChI=1S/C13H10ClN3O3S/c14-13-12(5-2-7-16-13)21(18,19)17-10-3-1-4-11(9-10)20-8-6-15/h1-5,7,9,17H,8H2
InChIKeyJOSUSIBYXVLBOK-UHFFFAOYSA-N
XLogP2.44
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-3-sulfonamide 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-[3-(cyanomethoxy)phenyl]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-3-sulfonamide (CID 61051825) is 2-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-3-sulfonamide is N#CCOc1cccc(NS(=O)(=O)c2cccnc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-3-sulfonamide?
The InChIKey is JOSUSIBYXVLBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3S/c14-13-12(5-2-7-16-13)21(18,19)17-10-3-1-4-11(9-10)20-8-6-15/h1-5,7,9,17H,8H2.
What are the key properties of 2-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-3-sulfonamide?
2-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-3-sulfonamide has a molecular weight of 323.76 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 61051825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).