5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide

C13H20Cl2N2O2S — CID 826892

IUPAC5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H20Cl2N2O2S/c1-9(2)7-17(8-10(3)4)20(18,19)11-5-12(14)13(15)16-6-11/h5-6,9-10H,7-8H2,1-4H3
InChIKeyJRIVOIZMJTXWRY-UHFFFAOYSA-N
MW339.29 g/mol
LogP3.69
Rot. Bonds6

About 5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide

5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide (PubChem CID 826892) has the molecular formula C13H20Cl2N2O2S and a molecular weight of 339.29 g/mol. Its IUPAC name is 5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide
PubChem CID826892
Molecular FormulaC13H20Cl2N2O2S
Molecular Weight339.29 g/mol
Exact Mass338.06
IUPAC Name5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H20Cl2N2O2S/c1-9(2)7-17(8-10(3)4)20(18,19)11-5-12(14)13(15)16-6-11/h5-6,9-10H,7-8H2,1-4H3
InChIKeyJRIVOIZMJTXWRY-UHFFFAOYSA-N
XLogP3.69
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide
CID 64608953
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide
CID 64608400
5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide
CID 64608367
2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 64609125
5-amino-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide
CID 82222964
5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 64608793
N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide
CID 64625358
2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 64608778
5,6-dichloropyridine-3-sulfonyl chloride
CID 4736911
(5,6-dichloro-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane
CID 167723258
5,6-dichloro-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide
CID 64608604

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide (CID 826892) is 5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide is CC(C)CN(CC(C)C)S(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide?
The InChIKey is JRIVOIZMJTXWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O2S/c1-9(2)7-17(8-10(3)4)20(18,19)11-5-12(14)13(15)16-6-11/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide?
5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide has a molecular weight of 339.29 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 826892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).