2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide

C13H20ClN3O2S — CID 63318006

IUPAC2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide
SMILESCN(CCNS(=O)(=O)c1ccnc(Cl)c1)C1CCCC1
InChIInChI=1S/C13H20ClN3O2S/c1-17(11-4-2-3-5-11)9-8-16-20(18,19)12-6-7-15-13(14)10-12/h6-7,10-11,16H,2-5,8-9H2,1H3
InChIKeyCABWZNHTWWVEJR-UHFFFAOYSA-N
MW317.84 g/mol
LogP1.89
Rot. Bonds6

About 2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide

2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide (PubChem CID 63318006) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is 2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide
PubChem CID63318006
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC Name2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide
SMILESCN(CCNS(=O)(=O)c1ccnc(Cl)c1)C1CCCC1
InChIInChI=1S/C13H20ClN3O2S/c1-17(11-4-2-3-5-11)9-8-16-20(18,19)12-6-7-15-13(14)10-12/h6-7,10-11,16H,2-5,8-9H2,1H3
InChIKeyCABWZNHTWWVEJR-UHFFFAOYSA-N
XLogP1.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pyridine-4-sulfonamide
CID 62978743
2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide
CID 54896019
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
CID 106336285
2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide
CID 114132607
5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 63318055
4-(bromomethyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
CID 65480044
2-chloro-N-(2-ethylcyclohexyl)pyridine-4-sulfonamide
CID 61051433
2-chloro-N-cyclopentyl-N-ethylpyridine-4-sulfonamide
CID 54896063
4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
CID 63314929
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 63316665
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide
CID 114147254
2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide
CID 106841570

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide (CID 63318006) is 2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide is CN(CCNS(=O)(=O)c1ccnc(Cl)c1)C1CCCC1.
What is the InChIKey of 2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide?
The InChIKey is CABWZNHTWWVEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2S/c1-17(11-4-2-3-5-11)9-8-16-20(18,19)12-6-7-15-13(14)10-12/h6-7,10-11,16H,2-5,8-9H2,1H3.
What are the key properties of 2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide?
2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide has a molecular weight of 317.84 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide is sourced from PubChem (CID 63318006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).