5-bromo-N-(3-bromo-4-fluorophenyl)-2-chloropyridine-3-sulfonamide

C11H6Br2ClFN2O2S — CID 104777158

IUPAC5-bromo-N-(3-bromo-4-fluorophenyl)-2-chloropyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Br)c1)c1cc(Br)cnc1Cl
InChIInChI=1S/C11H6Br2ClFN2O2S/c12-6-3-10(11(14)16-5-6)20(18,19)17-7-1-2-9(15)8(13)4-7/h1-5,17H
InChIKeyOFBHHNMUTKFSFK-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.20
Rot. Bonds3

About 5-bromo-N-(3-bromo-4-fluorophenyl)-2-chloropyridine-3-sulfonamide

5-bromo-N-(3-bromo-4-fluorophenyl)-2-chloropyridine-3-sulfonamide (PubChem CID 104777158) has the molecular formula C11H6Br2ClFN2O2S and a molecular weight of 444.51 g/mol. Its IUPAC name is 5-bromo-N-(3-bromo-4-fluorophenyl)-2-chloropyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-bromo-4-fluorophenyl)-2-chloropyridine-3-sulfonamide
PubChem CID104777158
Molecular FormulaC11H6Br2ClFN2O2S
Molecular Weight444.51 g/mol
Exact Mass441.82
IUPAC Name5-bromo-N-(3-bromo-4-fluorophenyl)-2-chloropyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Br)c1)c1cc(Br)cnc1Cl
InChIInChI=1S/C11H6Br2ClFN2O2S/c12-6-3-10(11(14)16-5-6)20(18,19)17-7-1-2-9(15)8(13)4-7/h1-5,17H
InChIKeyOFBHHNMUTKFSFK-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

5-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-sulfonamide
CID 107573401
N-(1-benzothiophen-5-yl)-5-bromo-2-chloropyridine-3-sulfonamide
CID 61300838
5-bromo-2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide
CID 61300839
5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide
CID 107573390
5-bromo-N-(4-bromo-3-fluorophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 65436185
5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 60779864
5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide
CID 104775483
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-sulfonamide
CID 60779896
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 104781528
2,5-dibromo-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104779619

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-bromo-4-fluorophenyl)-2-chloropyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(3-bromo-4-fluorophenyl)-2-chloropyridine-3-sulfonamide (CID 104777158) is 5-bromo-N-(3-bromo-4-fluorophenyl)-2-chloropyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-bromo-4-fluorophenyl)-2-chloropyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-bromo-4-fluorophenyl)-2-chloropyridine-3-sulfonamide is O=S(=O)(Nc1ccc(F)c(Br)c1)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-N-(3-bromo-4-fluorophenyl)-2-chloropyridine-3-sulfonamide?
The InChIKey is OFBHHNMUTKFSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2ClFN2O2S/c12-6-3-10(11(14)16-5-6)20(18,19)17-7-1-2-9(15)8(13)4-7/h1-5,17H.
What are the key properties of 5-bromo-N-(3-bromo-4-fluorophenyl)-2-chloropyridine-3-sulfonamide?
5-bromo-N-(3-bromo-4-fluorophenyl)-2-chloropyridine-3-sulfonamide 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 5-bromo-N-(3-bromo-4-fluorophenyl)-2-chloropyridine-3-sulfonamide is sourced from PubChem (CID 104777158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).