5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide

C11H17Cl2N3O2S — CID 64608220

IUPAC5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide
SMILESCC(CCN(C)C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H17Cl2N3O2S/c1-8(4-5-16(2)3)15-19(17,18)9-6-10(12)11(13)14-7-9/h6-8,15H,4-5H2,1-3H3
InChIKeyYVBAQSWWJYCKOK-UHFFFAOYSA-N
MW326.25 g/mol
LogP2.01
Rot. Bonds6

About 5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide

5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide (PubChem CID 64608220) has the molecular formula C11H17Cl2N3O2S and a molecular weight of 326.25 g/mol. Its IUPAC name is 5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide
PubChem CID64608220
Molecular FormulaC11H17Cl2N3O2S
Molecular Weight326.25 g/mol
Exact Mass325.04
IUPAC Name5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide
SMILESCC(CCN(C)C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H17Cl2N3O2S/c1-8(4-5-16(2)3)15-19(17,18)9-6-10(12)11(13)14-7-9/h6-8,15H,4-5H2,1-3H3
InChIKeyYVBAQSWWJYCKOK-UHFFFAOYSA-N
XLogP2.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
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-(6-methylheptan-2-yl)pyridine-3-sulfonamide
CID 64608367
5,6-dichloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 115662752
N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide
CID 115692267
5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide
CID 64607651
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
CID 64608986
5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide
CID 64608618
N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide
CID 71997346
5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide
CID 82940765
5,6-dichloro-N-(1-cyclohexylethyl)pyridine-3-sulfonamide
CID 64608609
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N,4-dimethylpentanamide
CID 64607430
5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 64607227

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide (CID 64608220) is 5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide is CC(CCN(C)C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide?
The InChIKey is YVBAQSWWJYCKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N3O2S/c1-8(4-5-16(2)3)15-19(17,18)9-6-10(12)11(13)14-7-9/h6-8,15H,4-5H2,1-3H3.
What are the key properties of 5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide?
5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide has a molecular weight of 326.25 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 64608220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).