N-(4-bromo-2-pyridinyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

C13H12BrFN2O2S — CID 107327698

IUPACN-(4-bromo-2-pyridinyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1cc(Br)ccn1
InChIInChI=1S/C13H12BrFN2O2S/c1-8-5-11(15)6-9(2)13(8)20(18,19)17-12-7-10(14)3-4-16-12/h3-7H,1-2H3,(H,16,17)
InChIKeyWMRSAUWJRBYFMP-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.40
Rot. Bonds3

About N-(4-bromo-2-pyridinyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

N-(4-bromo-2-pyridinyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107327698) has the molecular formula C13H12BrFN2O2S and a molecular weight of 359.22 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107327698
Molecular FormulaC13H12BrFN2O2S
Molecular Weight359.22 g/mol
Exact Mass357.98
IUPAC NameN-(4-bromo-2-pyridinyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1cc(Br)ccn1
InChIInChI=1S/C13H12BrFN2O2S/c1-8-5-11(15)6-9(2)13(8)20(18,19)17-12-7-10(14)3-4-16-12/h3-7H,1-2H3,(H,16,17)
InChIKeyWMRSAUWJRBYFMP-UHFFFAOYSA-N
XLogP3.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-pyridinyl)-5-fluoropyridine-3-sulfonamide
CID 102671893
N-(4-bromo-2-pyridinyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103100106
N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327344
5-bromo-N-(4-bromo-2-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 102671870
2,6-dimethyl-4-(methylamino)-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 107328600
4-fluoro-N-(3-hydroxy-2-pyridinyl)-2,6-dimethylbenzenesulfonamide
CID 107327732
N-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide
CID 102671829
N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326617
N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326533
N-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326661
N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326089
2,3,5,6-tetramethyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 6462198

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107327698) is N-(4-bromo-2-pyridinyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)Nc1cc(Br)ccn1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is WMRSAUWJRBYFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2S/c1-8-5-11(15)6-9(2)13(8)20(18,19)17-12-7-10(14)3-4-16-12/h3-7H,1-2H3,(H,16,17).
What are the key properties of N-(4-bromo-2-pyridinyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-(4-bromo-2-pyridinyl)-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 359.22 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107327698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).