5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide

C11H16BrClN2O2S — CID 107849139

IUPAC5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCCCCCl)c1cncc(Br)c1
InChIInChI=1S/C11H16BrClN2O2S/c12-10-7-11(9-14-8-10)18(16,17)15-6-4-2-1-3-5-13/h7-9,15H,1-6H2
InChIKeyNPWJVGCGZVDOKB-UHFFFAOYSA-N
MW355.69 g/mol
LogP2.92
Rot. Bonds8

About 5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide

5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide (PubChem CID 107849139) has the molecular formula C11H16BrClN2O2S and a molecular weight of 355.69 g/mol. Its IUPAC name is 5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide
PubChem CID107849139
Molecular FormulaC11H16BrClN2O2S
Molecular Weight355.69 g/mol
Exact Mass353.98
IUPAC Name5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCCCCCl)c1cncc(Br)c1
InChIInChI=1S/C11H16BrClN2O2S/c12-10-7-11(9-14-8-10)18(16,17)15-6-4-2-1-3-5-13/h7-9,15H,1-6H2
InChIKeyNPWJVGCGZVDOKB-UHFFFAOYSA-N
XLogP2.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.69
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide
CID 106846555
5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107319453
4-bromo-N-(5-chloropentyl)benzenesulfonamide
CID 107322747
5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide
CID 113431359
5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 115596600
5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
CID 62665108
5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 76848572
5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide
CID 103731692
5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 114758635
5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride
CID 161347039
5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030603
3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
CID 114008802

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide (CID 107849139) is 5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide is O=S(=O)(NCCCCCCCl)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide?
The InChIKey is NPWJVGCGZVDOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2O2S/c12-10-7-11(9-14-8-10)18(16,17)15-6-4-2-1-3-5-13/h7-9,15H,1-6H2.
What are the key properties of 5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide?
5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide has a molecular weight of 355.69 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide is sourced from PubChem (CID 107849139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).