N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide

C13H13BrN2O2S — CID 3707441

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(Br)cc2C)cc1
InChIInChI=1S/C13H13BrN2O2S/c1-9-3-5-12(6-4-9)19(17,18)16-13-10(2)7-11(14)8-15-13/h3-8H,1-2H3,(H,15,16)
InChIKeySFDOLGLUBVADJM-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.26
Rot. Bonds3

About N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide

N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide (PubChem CID 3707441) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
PubChem CID3707441
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(Br)cc2C)cc1
InChIInChI=1S/C13H13BrN2O2S/c1-9-3-5-12(6-4-9)19(17,18)16-13-10(2)7-11(14)8-15-13/h3-8H,1-2H3,(H,15,16)
InChIKeySFDOLGLUBVADJM-UHFFFAOYSA-N
XLogP3.26
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 83166969
4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83167153
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 83170644
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 83167341
4-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3-chlorobenzenesulfonamide
CID 83170947
N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422342
N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-sulfonamide
CID 83170253
N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 11001969
N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 81422727
2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylbenzenesulfonamide
CID 103171723
N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 673877

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide (CID 3707441) is N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncc(Br)cc2C)cc1.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide?
The InChIKey is SFDOLGLUBVADJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-9-3-5-12(6-4-9)19(17,18)16-13-10(2)7-11(14)8-15-13/h3-8H,1-2H3,(H,15,16).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide?
N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide has a molecular weight of 341.23 g/mol, XLogP of 3.26, 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)-4-methylbenzenesulfonamide is sourced from PubChem (CID 3707441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).