4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide

C11H6Br2ClFN2O2S — CID 105055682

IUPAC4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Cl)c(Br)c1)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H6Br2ClFN2O2S/c12-8-2-1-7(4-10(8)15)20(18,19)17-6-3-9(13)11(14)16-5-6/h1-5,17H
InChIKeyDOSDVZXEVHHCJN-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.20
Rot. Bonds3

About 4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide

4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide (PubChem CID 105055682) has the molecular formula C11H6Br2ClFN2O2S and a molecular weight of 444.51 g/mol. Its IUPAC name is 4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
PubChem CID105055682
Molecular FormulaC11H6Br2ClFN2O2S
Molecular Weight444.51 g/mol
Exact Mass441.82
IUPAC Name4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Cl)c(Br)c1)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H6Br2ClFN2O2S/c12-8-2-1-7(4-10(8)15)20(18,19)17-6-3-9(13)11(14)16-5-6/h1-5,17H
InChIKeyDOSDVZXEVHHCJN-UHFFFAOYSA-N
XLogP4.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.20
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-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide
CID 104826709
5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide
CID 4730144
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzenesulfonamide
CID 103744901
4-bromo-N-[6-(dimethylamino)-3-pyridinyl]-3-fluorobenzenesulfonamide
CID 103709775
4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 103709774
N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 105055698
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104826706
5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide
CID 4729992
4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 97161985
N-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 104826704
4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide
CID 107649952
4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide
CID 97161953

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide (CID 105055682) is 4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide is O=S(=O)(Nc1cnc(Cl)c(Br)c1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide?
The InChIKey is DOSDVZXEVHHCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2ClFN2O2S/c12-8-2-1-7(4-10(8)15)20(18,19)17-6-3-9(13)11(14)16-5-6/h1-5,17H.
What are the key properties of 4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide?
4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide has a molecular weight of 444.51 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 105055682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).