N-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide

C12H10BrFN2O2S — CID 113349565

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
SMILESCc1nc(Br)ccc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H10BrFN2O2S/c1-8-10(6-7-12(13)15-8)16-19(17,18)11-5-3-2-4-9(11)14/h2-7,16H,1H3
InChIKeyWIFFMGAUOSFJAX-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.09
Rot. Bonds3

About N-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide

N-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide (PubChem CID 113349565) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
PubChem CID113349565
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
SMILESCc1nc(Br)ccc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H10BrFN2O2S/c1-8-10(6-7-12(13)15-8)16-19(17,18)11-5-3-2-4-9(11)14/h2-7,16H,1H3
InChIKeyWIFFMGAUOSFJAX-UHFFFAOYSA-N
XLogP3.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 53.09
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-(6-bromo-2-methyl-3-pyridinyl)-2-nitrobenzenesulfonamide
CID 103907930
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103223902
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103907913
N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 25035957
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 104814667
N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide
CID 80974925
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
CID 113349554
N-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 103775603
N-(6-bromo-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 103907908
5-bromo-2-[(2-fluorophenyl)sulfonylamino]benzenecarbothioamide
CID 82694314

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide (CID 113349565) is N-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide is Cc1nc(Br)ccc1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide?
The InChIKey is WIFFMGAUOSFJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c1-8-10(6-7-12(13)15-8)16-19(17,18)11-5-3-2-4-9(11)14/h2-7,16H,1H3.
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide?
N-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide has a molecular weight of 345.19 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 113349565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).