5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide

C11H17Cl2N3O3S — CID 64607272

IUPAC5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H17Cl2N3O3S/c1-16(5-6-19-2)4-3-15-20(17,18)9-7-10(12)11(13)14-8-9/h7-8,15H,3-6H2,1-2H3
InChIKeyQEGBRHFUGSPEKU-UHFFFAOYSA-N
MW342.25 g/mol
LogP1.24
Rot. Bonds8

About 5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide

5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide (PubChem CID 64607272) has the molecular formula C11H17Cl2N3O3S and a molecular weight of 342.25 g/mol. Its IUPAC name is 5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
PubChem CID64607272
Molecular FormulaC11H17Cl2N3O3S
Molecular Weight342.25 g/mol
Exact Mass341.04
IUPAC Name5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H17Cl2N3O3S/c1-16(5-6-19-2)4-3-15-20(17,18)9-7-10(12)11(13)14-8-9/h7-8,15H,3-6H2,1-2H3
InChIKeyQEGBRHFUGSPEKU-UHFFFAOYSA-N
XLogP1.24
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62850113
5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
CID 64608986
5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide
CID 103721200
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide
CID 62845217
5,6-dichloro-N-(3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 64608229
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874
5,6-dichloro-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide
CID 64608604
4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845055
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792
5,6-dichloro-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 115641390
2-amino-5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845016
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 82844183

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide (CID 64607272) is 5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide is COCCN(C)CCNS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide?
The InChIKey is QEGBRHFUGSPEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N3O3S/c1-16(5-6-19-2)4-3-15-20(17,18)9-7-10(12)11(13)14-8-9/h7-8,15H,3-6H2,1-2H3.
What are the key properties of 5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide?
5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide has a molecular weight of 342.25 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64607272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).