N-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide

C11H6BrCl2FN2O2S — CID 103223782

IUPACN-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)nc1)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C11H6BrCl2FN2O2S/c12-9-4-1-6(5-16-9)17-20(18,19)8-3-2-7(13)11(15)10(8)14/h1-5,17H
InChIKeyARZOQERYQZCLQC-UHFFFAOYSA-N
MW400.06 g/mol
LogP4.09
Rot. Bonds3

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

N-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide (PubChem CID 103223782) has the molecular formula C11H6BrCl2FN2O2S and a molecular weight of 400.06 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide
PubChem CID103223782
Molecular FormulaC11H6BrCl2FN2O2S
Molecular Weight400.06 g/mol
Exact Mass397.87
IUPAC NameN-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)nc1)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C11H6BrCl2FN2O2S/c12-9-4-1-6(5-16-9)17-20(18,19)8-3-2-7(13)11(15)10(8)14/h1-5,17H
InChIKeyARZOQERYQZCLQC-UHFFFAOYSA-N
XLogP4.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.06
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103088310
N-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 107640855
N-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 103775603
N-(6-bromo-3-pyridinyl)-2,4,6-trichlorobenzenesulfonamide
CID 103775541
N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide
CID 114051668
2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259716
2,4-dichloro-3-fluoro-N-(3-hydroxy-2-pyridinyl)benzenesulfonamide
CID 103088425
N-(2-bromo-4,4-dimethylpentyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 107158110
2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103088374
3-[(6-bromo-3-pyridinyl)sulfamoyl]-4-fluorobenzoic acid
CID 103777888
4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 116528770
2,4-dichloro-N-[3-(chloromethyl)phenyl]-3-fluorobenzenesulfonamide
CID 103089625

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide (CID 103223782) is N-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(Br)nc1)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The InChIKey is ARZOQERYQZCLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2FN2O2S/c12-9-4-1-6(5-16-9)17-20(18,19)8-3-2-7(13)11(15)10(8)14/h1-5,17H.
What are the key properties of N-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide?
N-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide has a molecular weight of 400.06 g/mol, XLogP of 4.09, 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-dichloro-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103223782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).