5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide

C12H18Br2N2O2S — CID 106288581

IUPAC5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide
SMILESCCC(CC)C(Br)CNS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C12H18Br2N2O2S/c1-3-9(4-2)12(14)8-16-19(17,18)11-5-10(13)6-15-7-11/h5-7,9,12,16H,3-4,8H2,1-2H3
InChIKeyNCAZLDQMSOICCX-UHFFFAOYSA-N
MW414.16 g/mol
LogP3.32
Rot. Bonds7

About 5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide

5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide (PubChem CID 106288581) has the molecular formula C12H18Br2N2O2S and a molecular weight of 414.16 g/mol. Its IUPAC name is 5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide
PubChem CID106288581
Molecular FormulaC12H18Br2N2O2S
Molecular Weight414.16 g/mol
Exact Mass411.95
IUPAC Name5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide
SMILESCCC(CC)C(Br)CNS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C12H18Br2N2O2S/c1-3-9(4-2)12(14)8-16-19(17,18)11-5-10(13)6-15-7-11/h5-7,9,12,16H,3-4,8H2,1-2H3
InChIKeyNCAZLDQMSOICCX-UHFFFAOYSA-N
XLogP3.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.16
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide
CID 106118270
5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
CID 62665108
5-bromo-N-ethoxypyridine-3-sulfonamide
CID 64973872
5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65110693
N-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride
CID 120582741
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 115596600
5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 76848572
4-bromo-N-(2-bromo-3-ethylpentyl)-2-fluorobenzenesulfonamide
CID 106288659
N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 106288635
5-bromo-N-hex-5-yn-3-ylpyridine-3-sulfonamide
CID 115650475
3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 113411019

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide (CID 106288581) is 5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide is CCC(CC)C(Br)CNS(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide?
The InChIKey is NCAZLDQMSOICCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2O2S/c1-3-9(4-2)12(14)8-16-19(17,18)11-5-10(13)6-15-7-11/h5-7,9,12,16H,3-4,8H2,1-2H3.
What are the key properties of 5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide?
5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide has a molecular weight of 414.16 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106288581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).