5,6-dichloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-3-sulfonamide

C11H16Cl2N2O2S2 — CID 115662752

IUPAC5,6-dichloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-3-sulfonamide
SMILESCCSCCC(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H16Cl2N2O2S2/c1-3-18-5-4-8(2)15-19(16,17)9-6-10(12)11(13)14-7-9/h6-8,15H,3-5H2,1-2H3
InChIKeyIALQYOQHCJPURY-UHFFFAOYSA-N
MW343.30 g/mol
LogP3.20
Rot. Bonds7

About 5,6-dichloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-3-sulfonamide

5,6-dichloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-3-sulfonamide (PubChem CID 115662752) has the molecular formula C11H16Cl2N2O2S2 and a molecular weight of 343.30 g/mol. Its IUPAC name is 5,6-dichloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-3-sulfonamide
PubChem CID115662752
Molecular FormulaC11H16Cl2N2O2S2
Molecular Weight343.30 g/mol
Exact Mass342.00
IUPAC Name5,6-dichloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-3-sulfonamide
SMILESCCSCCC(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H16Cl2N2O2S2/c1-3-18-5-4-8(2)15-19(16,17)9-6-10(12)11(13)14-7-9/h6-8,15H,3-5H2,1-2H3
InChIKeyIALQYOQHCJPURY-UHFFFAOYSA-N
XLogP3.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide
CID 64608220
3-chloro-N-(4-ethylsulfanylbutan-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 106084643
5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide
CID 64607651
N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide
CID 115692267
5-(4-ethylsulfanylbutan-2-ylsulfamoyl)pyridine-2-carbothioamide
CID 114614743
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
4-bromo-N-(4-ethylsulfanylbutan-2-yl)benzenesulfonamide
CID 115662743
5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide
CID 64608618
5,6-dichloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 64607088
4-cyano-N-(4-ethylsulfanylbutan-2-yl)benzenesulfonamide
CID 115662739
5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)thiophene-3-sulfonamide
CID 106084568

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-3-sulfonamide (CID 115662752) is 5,6-dichloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-3-sulfonamide is CCSCCC(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is IALQYOQHCJPURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2S2/c1-3-18-5-4-8(2)15-19(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-(4-ethylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
5,6-dichloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 343.30 g/mol, XLogP of 3.20, 7 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-ethylsulfanylbutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 115662752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).