5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide

C13H20Cl2N2O2S — CID 64608367

IUPAC5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H20Cl2N2O2S/c1-9(2)5-4-6-10(3)17-20(18,19)11-7-12(14)13(15)16-8-11/h7-10,17H,4-6H2,1-3H3
InChIKeyCQGAQJIOTCJRAW-UHFFFAOYSA-N
MW339.29 g/mol
LogP3.88
Rot. Bonds7

About 5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide

5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide (PubChem CID 64608367) has the molecular formula C13H20Cl2N2O2S and a molecular weight of 339.29 g/mol. Its IUPAC name is 5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide
PubChem CID64608367
Molecular FormulaC13H20Cl2N2O2S
Molecular Weight339.29 g/mol
Exact Mass338.06
IUPAC Name5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H20Cl2N2O2S/c1-9(2)5-4-6-10(3)17-20(18,19)11-7-12(14)13(15)16-8-11/h7-10,17H,4-6H2,1-3H3
InChIKeyCQGAQJIOTCJRAW-UHFFFAOYSA-N
XLogP3.88
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 53.88
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

2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide
CID 61051308
5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide
CID 64608220
5,6-dichloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 115662752
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide
CID 115692267
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N,4-dimethylpentanamide
CID 64607430
5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide
CID 64607651
5,6-dichloro-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide
CID 64608604
5,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-sulfonamide
CID 826892
5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide
CID 64608618
2-amino-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
CID 62153139
4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 60639898

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide (CID 64608367) is 5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide is CC(C)CCCC(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide?
The InChIKey is CQGAQJIOTCJRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O2S/c1-9(2)5-4-6-10(3)17-20(18,19)11-7-12(14)13(15)16-8-11/h7-10,17H,4-6H2,1-3H3.
What are the key properties of 5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide?
5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide has a molecular weight of 339.29 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 64608367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).