2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide

C13H21ClN2O3S — CID 61045189

IUPAC2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
SMILESCCCCCCN(CCO)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H21ClN2O3S/c1-2-3-4-5-9-16(10-11-17)20(18,19)12-7-6-8-15-13(12)14/h6-8,17H,2-5,9-11H2,1H3
InChIKeyGQXYNNHZZUXBHP-UHFFFAOYSA-N
MW320.84 g/mol
LogP2.30
Rot. Bonds9

About 2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide

2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide (PubChem CID 61045189) has the molecular formula C13H21ClN2O3S and a molecular weight of 320.84 g/mol. Its IUPAC name is 2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
PubChem CID61045189
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84 g/mol
Exact Mass320.10
IUPAC Name2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
SMILESCCCCCCN(CCO)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H21ClN2O3S/c1-2-3-4-5-9-16(10-11-17)20(18,19)12-7-6-8-15-13(12)14/h6-8,17H,2-5,9-11H2,1H3
InChIKeyGQXYNNHZZUXBHP-UHFFFAOYSA-N
XLogP2.30
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide
CID 43456976
5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61299294
2-chloro-N-ethyl-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 54948785
2-chloro-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide
CID 55226922
2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide
CID 61046475
2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 61046666
2-(aminomethyl)-N,N-dibutylpyridine-3-sulfonamide
CID 106593797
3-(dibutylsulfamoyl)pyridine-2-carbothioamide
CID 106596522
2-(aminomethyl)-N,N-bis(2-hydroxyethyl)pyridine-3-sulfonamide
CID 106594050
3-fluoro-N,N-dipentylpyridine-2-sulfonamide
CID 103299737
2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398331
2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 60951844

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide (CID 61045189) is 2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide is CCCCCCN(CCO)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide?
The InChIKey is GQXYNNHZZUXBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O3S/c1-2-3-4-5-9-16(10-11-17)20(18,19)12-7-6-8-15-13(12)14/h6-8,17H,2-5,9-11H2,1H3.
What are the key properties of 2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide?
2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide has a molecular weight of 320.84 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61045189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).