N-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide

C12H9BrF2N2O2S — CID 81421965

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H9BrF2N2O2S/c1-7-4-8(13)6-16-12(7)17-20(18,19)11-5-9(14)2-3-10(11)15/h2-6H,1H3,(H,16,17)
InChIKeyASKRLBHWBCTPHX-UHFFFAOYSA-N
MW363.18 g/mol
LogP3.23
Rot. Bonds3

About N-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide

N-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide (PubChem CID 81421965) has the molecular formula C12H9BrF2N2O2S and a molecular weight of 363.18 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide
PubChem CID81421965
Molecular FormulaC12H9BrF2N2O2S
Molecular Weight363.18 g/mol
Exact Mass361.95
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H9BrF2N2O2S/c1-7-4-8(13)6-16-12(7)17-20(18,19)11-5-9(14)2-3-10(11)15/h2-6H,1H3,(H,16,17)
InChIKeyASKRLBHWBCTPHX-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

N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115731782
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 83166077
2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783
N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 43550987
4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 81421854
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide
CID 83166245
N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 3707441
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dimethylbenzenesulfonamide
CID 83165910
N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076794
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 83167706
5-bromo-4-[(5-bromo-3-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
CID 83165262
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylbenzenesulfonamide
CID 103171723

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide (CID 81421965) is N-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide is Cc1cc(Br)cnc1NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide?
The InChIKey is ASKRLBHWBCTPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O2S/c1-7-4-8(13)6-16-12(7)17-20(18,19)11-5-9(14)2-3-10(11)15/h2-6H,1H3,(H,16,17).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide?
N-(5-bromo-3-methyl-2-pyridinyl)-2,5-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-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 81421965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).