N-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide

C12H9BrF2N2O2S — CID 5237791

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2F)ccc1Br
InChIInChI=1S/C12H9BrF2N2O2S/c1-7-9(13)3-5-12(16-7)17-20(18,19)11-4-2-8(14)6-10(11)15/h2-6H,1H3,(H,16,17)
InChIKeyWEAGYRLJFUZNGC-UHFFFAOYSA-N
MW363.18 g/mol
LogP3.23
Rot. Bonds3

About N-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide

N-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide (PubChem CID 5237791) has the molecular formula C12H9BrF2N2O2S and a molecular weight of 363.18 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide
PubChem CID5237791
Molecular FormulaC12H9BrF2N2O2S
Molecular Weight363.18 g/mol
Exact Mass361.95
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2F)ccc1Br
InChIInChI=1S/C12H9BrF2N2O2S/c1-7-9(13)3-5-12(16-7)17-20(18,19)11-4-2-8(14)6-10(11)15/h2-6H,1H3,(H,16,17)
InChIKeyWEAGYRLJFUZNGC-UHFFFAOYSA-N
XLogP3.23
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.18
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-fluorobenzenesulfonamide
CID 79048558
N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 25035957
5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 79042026
N-(5-bromo-6-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 79041116
2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3775268
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774544
5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 79041139
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
5-fluoro-N-[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide
CID 11617715
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide (CID 5237791) is N-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccc(F)cc2F)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is WEAGYRLJFUZNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O2S/c1-7-9(13)3-5-12(16-7)17-20(18,19)11-4-2-8(14)6-10(11)15/h2-6H,1H3,(H,16,17).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 363.18 g/mol, XLogP of 3.23, 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-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 5237791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).