4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide

C11H7BrClFN2O2S — CID 116528770

IUPAC4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)nc1)c1ccc(Br)cc1F
InChIInChI=1S/C11H7BrClFN2O2S/c12-7-1-3-10(9(14)5-7)19(17,18)16-8-2-4-11(13)15-6-8/h1-6,16H
InChIKeyUOQXPJPDQOETMD-UHFFFAOYSA-N
MW365.61 g/mol
LogP3.44
Rot. Bonds3

About 4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide

4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide (PubChem CID 116528770) has the molecular formula C11H7BrClFN2O2S and a molecular weight of 365.61 g/mol. Its IUPAC name is 4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide
PubChem CID116528770
Molecular FormulaC11H7BrClFN2O2S
Molecular Weight365.61 g/mol
Exact Mass363.91
IUPAC Name4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)nc1)c1ccc(Br)cc1F
InChIInChI=1S/C11H7BrClFN2O2S/c12-7-1-3-10(9(14)5-7)19(17,18)16-8-2-4-11(13)15-6-8/h1-6,16H
InChIKeyUOQXPJPDQOETMD-UHFFFAOYSA-N
XLogP3.44
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 53.44
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

4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 116528754
5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 78931983
4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 97455698
4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide
CID 116527677
4-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide
CID 116528159
4-bromo-N-(3-chloropyrazin-2-yl)-2-fluorobenzenesulfonamide
CID 102989949
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139
4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 98000872
4-bromo-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 53240323
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
4-bromo-N-(2,5-difluorophenyl)-2-fluorobenzenesulfonamide
CID 97455684
4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide
CID 116527675

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide (CID 116528770) is 4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(Cl)nc1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide?
The InChIKey is UOQXPJPDQOETMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2O2S/c12-7-1-3-10(9(14)5-7)19(17,18)16-8-2-4-11(13)15-6-8/h1-6,16H.
What are the key properties of 4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide?
4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide has a molecular weight of 365.61 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 116528770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).