N-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide

C11H6BrClF2N2O2S — CID 104826709

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Cl)c(Br)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C11H6BrClF2N2O2S/c12-10-4-8(5-16-11(10)13)17-20(18,19)9-2-6(14)1-7(15)3-9/h1-5,17H
InChIKeyIUCHVFGOMKALAK-UHFFFAOYSA-N
MW383.60 g/mol
LogP3.58
Rot. Bonds3

About N-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide

N-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide (PubChem CID 104826709) has the molecular formula C11H6BrClF2N2O2S and a molecular weight of 383.60 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide
PubChem CID104826709
Molecular FormulaC11H6BrClF2N2O2S
Molecular Weight383.60 g/mol
Exact Mass381.90
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Cl)c(Br)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C11H6BrClF2N2O2S/c12-10-4-8(5-16-11(10)13)17-20(18,19)9-2-6(14)1-7(15)3-9/h1-5,17H
InChIKeyIUCHVFGOMKALAK-UHFFFAOYSA-N
XLogP3.58
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.60
LogP ≤ 53.58
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-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 105055682
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
3,5-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259712
N-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 104826704
5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide
CID 4730144
5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide
CID 4729992
2-chloro-N-(3,5-difluorophenyl)pyrimidine-5-sulfonamide
CID 43456351
N-(6-amino-3-pyridinyl)-3,5-difluorobenzenesulfonamide
CID 60791459
N-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide
CID 104826717
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 113253371
N-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 104826712

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide (CID 104826709) is N-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide is O=S(=O)(Nc1cnc(Cl)c(Br)c1)c1cc(F)cc(F)c1.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide?
The InChIKey is IUCHVFGOMKALAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF2N2O2S/c12-10-4-8(5-16-11(10)13)17-20(18,19)9-2-6(14)1-7(15)3-9/h1-5,17H.
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide?
N-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide has a molecular weight of 383.60 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 104826709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).