5,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide

C11H16Cl2N2O3S — CID 65106876

IUPAC5,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H16Cl2N2O3S/c1-3-11(16,4-2)7-15-19(17,18)8-5-9(12)10(13)14-6-8/h5-6,15-16H,3-4,7H2,1-2H3
InChIKeyGLQATQMBHWCQDH-UHFFFAOYSA-N
MW327.23 g/mol
LogP2.22
Rot. Bonds6

About 5,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide

5,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide (PubChem CID 65106876) has the molecular formula C11H16Cl2N2O3S and a molecular weight of 327.23 g/mol. Its IUPAC name is 5,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
PubChem CID65106876
Molecular FormulaC11H16Cl2N2O3S
Molecular Weight327.23 g/mol
Exact Mass326.03
IUPAC Name5,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H16Cl2N2O3S/c1-3-11(16,4-2)7-15-19(17,18)8-5-9(12)10(13)14-6-8/h5-6,15-16H,3-4,7H2,1-2H3
InChIKeyGLQATQMBHWCQDH-UHFFFAOYSA-N
XLogP2.22
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874
5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64624600
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65110693
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792
3-chloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 65113185
6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 115754118
3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 64608415
N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide
CID 115641375
5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 79362839
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea
CID 83110624
5,6-dichloro-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 115641390

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide (CID 65106876) is 5,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide is CCC(O)(CC)CNS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide?
The InChIKey is GLQATQMBHWCQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O3S/c1-3-11(16,4-2)7-15-19(17,18)8-5-9(12)10(13)14-6-8/h5-6,15-16H,3-4,7H2,1-2H3.
What are the key properties of 5,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide?
5,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide has a molecular weight of 327.23 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 65106876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).