5-chloro-N-(2-ethoxyethyl)-6-morpholin-4-ylpyridine-3-sulfonamide

C13H20ClN3O4S — CID 136574873

IUPAC5-chloro-N-(2-ethoxyethyl)-6-morpholin-4-ylpyridine-3-sulfonamide
SMILESCCOCCNS(=O)(=O)c1cnc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C13H20ClN3O4S/c1-2-20-6-3-16-22(18,19)11-9-12(14)13(15-10-11)17-4-7-21-8-5-17/h9-10,16H,2-8H2,1H3
InChIKeyIMRYELPVIMAIBQ-UHFFFAOYSA-N
MW349.84 g/mol
LogP0.89
Rot. Bonds7

About 5-chloro-N-(2-ethoxyethyl)-6-morpholin-4-ylpyridine-3-sulfonamide

5-chloro-N-(2-ethoxyethyl)-6-morpholin-4-ylpyridine-3-sulfonamide (PubChem CID 136574873) has the molecular formula C13H20ClN3O4S and a molecular weight of 349.84 g/mol. Its IUPAC name is 5-chloro-N-(2-ethoxyethyl)-6-morpholin-4-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-ethoxyethyl)-6-morpholin-4-ylpyridine-3-sulfonamide
PubChem CID136574873
Molecular FormulaC13H20ClN3O4S
Molecular Weight349.84 g/mol
Exact Mass349.09
IUPAC Name5-chloro-N-(2-ethoxyethyl)-6-morpholin-4-ylpyridine-3-sulfonamide
SMILESCCOCCNS(=O)(=O)c1cnc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C13H20ClN3O4S/c1-2-20-6-3-16-22(18,19)11-9-12(14)13(15-10-11)17-4-7-21-8-5-17/h9-10,16H,2-8H2,1H3
InChIKeyIMRYELPVIMAIBQ-UHFFFAOYSA-N
XLogP0.89
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(2-ethoxyethyl)-6-morpholin-4-ylpyridine-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 5-chloro-N-(2-ethoxyethyl)-6-morpholin-4-ylpyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(2-ethoxyethyl)-6-morpholin-4-ylpyridine-3-sulfonamide (CID 136574873) is 5-chloro-N-(2-ethoxyethyl)-6-morpholin-4-ylpyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-ethoxyethyl)-6-morpholin-4-ylpyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-ethoxyethyl)-6-morpholin-4-ylpyridine-3-sulfonamide is CCOCCNS(=O)(=O)c1cnc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(2-ethoxyethyl)-6-morpholin-4-ylpyridine-3-sulfonamide?
The InChIKey is IMRYELPVIMAIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O4S/c1-2-20-6-3-16-22(18,19)11-9-12(14)13(15-10-11)17-4-7-21-8-5-17/h9-10,16H,2-8H2,1H3.
What are the key properties of 5-chloro-N-(2-ethoxyethyl)-6-morpholin-4-ylpyridine-3-sulfonamide?
5-chloro-N-(2-ethoxyethyl)-6-morpholin-4-ylpyridine-3-sulfonamide has a molecular weight of 349.84 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethoxyethyl)-6-morpholin-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 136574873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).