2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide

C12H9BrF2N2O2S — CID 79044269

IUPAC2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ncccc1NS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C12H9BrF2N2O2S/c1-7-11(3-2-4-16-7)17-20(18,19)12-9(13)5-8(14)6-10(12)15/h2-6,17H,1H3
InChIKeyAWDPUJPFYLRVLJ-UHFFFAOYSA-N
MW363.18 g/mol
LogP3.23
Rot. Bonds3

About 2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide

2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 79044269) has the molecular formula C12H9BrF2N2O2S and a molecular weight of 363.18 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID79044269
Molecular FormulaC12H9BrF2N2O2S
Molecular Weight363.18 g/mol
Exact Mass361.95
IUPAC Name2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ncccc1NS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C12H9BrF2N2O2S/c1-7-11(3-2-4-16-7)17-20(18,19)12-9(13)5-8(14)6-10(12)15/h2-6,17H,1H3
InChIKeyAWDPUJPFYLRVLJ-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

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Related Compounds

2-bromo-4,6-difluoro-N-(2-methylphenyl)benzenesulfonamide
CID 26952261
2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide
CID 60822685
2-bromo-N-(2-bromo-3-chlorophenyl)-4,6-difluorobenzenesulfonamide
CID 103481212
2-bromo-N-(2,5-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 63422484
2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 60640704
2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide
CID 26951704
2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394148
2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775763
2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83022882
2-bromo-4,6-difluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237176
3-fluoro-N-(2-methyl-3-pyridinyl)-4-nitrobenzenesulfonamide
CID 82847321
3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 116791990

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide (CID 79044269) is 2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide is Cc1ncccc1NS(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is AWDPUJPFYLRVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O2S/c1-7-11(3-2-4-16-7)17-20(18,19)12-9(13)5-8(14)6-10(12)15/h2-6,17H,1H3.
What are the key properties of 2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide?
2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide 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 2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 79044269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).