N-(6-bromo-3-pyridinyl)-2,4,6-trichlorobenzenesulfonamide

C11H6BrCl3N2O2S — CID 103775541

IUPACN-(6-bromo-3-pyridinyl)-2,4,6-trichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)nc1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H6BrCl3N2O2S/c12-10-2-1-7(5-16-10)17-20(18,19)11-8(14)3-6(13)4-9(11)15/h1-5,17H
InChIKeyKBINCVQNIMYXBM-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.61
Rot. Bonds3

About N-(6-bromo-3-pyridinyl)-2,4,6-trichlorobenzenesulfonamide

N-(6-bromo-3-pyridinyl)-2,4,6-trichlorobenzenesulfonamide (PubChem CID 103775541) has the molecular formula C11H6BrCl3N2O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-2,4,6-trichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-2,4,6-trichlorobenzenesulfonamide
PubChem CID103775541
Molecular FormulaC11H6BrCl3N2O2S
Molecular Weight416.51 g/mol
Exact Mass413.84
IUPAC NameN-(6-bromo-3-pyridinyl)-2,4,6-trichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)nc1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H6BrCl3N2O2S/c12-10-2-1-7(5-16-10)17-20(18,19)11-8(14)3-6(13)4-9(11)15/h1-5,17H
InChIKeyKBINCVQNIMYXBM-UHFFFAOYSA-N
XLogP4.61
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.61
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

N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide
CID 114051668
N-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103223782
4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 60640543
2,4,6-trichloro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794514
3-[(6-bromo-3-pyridinyl)sulfamoyl]-4-fluorobenzoic acid
CID 103777888
6-bromo-N-(ethylsulfamoyl)pyridin-3-amine
CID 110614761
3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide
CID 74227839
N-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 103775603
N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
CID 103775599
N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide
CID 103775610
2,4,6-trichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 102989994
N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide
CID 103775515

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-2,4,6-trichlorobenzenesulfonamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-2,4,6-trichlorobenzenesulfonamide (CID 103775541) is N-(6-bromo-3-pyridinyl)-2,4,6-trichlorobenzenesulfonamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-2,4,6-trichlorobenzenesulfonamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-2,4,6-trichlorobenzenesulfonamide is O=S(=O)(Nc1ccc(Br)nc1)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-2,4,6-trichlorobenzenesulfonamide?
The InChIKey is KBINCVQNIMYXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl3N2O2S/c12-10-2-1-7(5-16-10)17-20(18,19)11-8(14)3-6(13)4-9(11)15/h1-5,17H.
What are the key properties of N-(6-bromo-3-pyridinyl)-2,4,6-trichlorobenzenesulfonamide?
N-(6-bromo-3-pyridinyl)-2,4,6-trichlorobenzenesulfonamide has a molecular weight of 416.51 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-2,4,6-trichlorobenzenesulfonamide is sourced from PubChem (CID 103775541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).