5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide

C11H16Cl2N2O2S — CID 64607651

IUPAC5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H16Cl2N2O2S/c1-3-5-8(4-2)15-18(16,17)9-6-10(12)11(13)14-7-9/h6-8,15H,3-5H2,1-2H3
InChIKeyKAFKIRDCBOOBRG-UHFFFAOYSA-N
MW311.23 g/mol
LogP3.25
Rot. Bonds6

About 5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide

5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide (PubChem CID 64607651) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is 5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide
PubChem CID64607651
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC Name5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H16Cl2N2O2S/c1-3-5-8(4-2)15-18(16,17)9-6-10(12)11(13)14-7-9/h6-8,15H,3-5H2,1-2H3
InChIKeyKAFKIRDCBOOBRG-UHFFFAOYSA-N
XLogP3.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide
CID 64608495
5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide
CID 64608367
5,6-dichloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 115662752
5-chloro-6-hydrazinyl-N-(1-methoxypentan-2-yl)pyridine-3-sulfonamide
CID 64608202
5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide
CID 64608220
N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide
CID 115692267
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide
CID 64608618
5,6-dichloro-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64624600
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N,4-dimethylpentanamide
CID 64607430
5,6-dichloro-N-(1-cyclohexylethyl)pyridine-3-sulfonamide
CID 64608609

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide (CID 64607651) is 5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide is CCCC(CC)NS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide?
The InChIKey is KAFKIRDCBOOBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2S/c1-3-5-8(4-2)15-18(16,17)9-6-10(12)11(13)14-7-9/h6-8,15H,3-5H2,1-2H3.
What are the key properties of 5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide?
5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide has a molecular weight of 311.23 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide is sourced from PubChem (CID 64607651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).