3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide

C13H14BrN3O2S — CID 106070385

IUPAC3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cccc(CN)c2)ccc1Br
InChIInChI=1S/C13H14BrN3O2S/c1-9-12(14)5-6-13(16-9)17-20(18,19)11-4-2-3-10(7-11)8-15/h2-7H,8,15H2,1H3,(H,16,17)
InChIKeyWEBNJDIQBIYPNA-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.41
Rot. Bonds4

About 3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide

3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 106070385) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID106070385
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cccc(CN)c2)ccc1Br
InChIInChI=1S/C13H14BrN3O2S/c1-9-12(14)5-6-13(16-9)17-20(18,19)11-4-2-3-10(7-11)8-15/h2-7H,8,15H2,1H3,(H,16,17)
InChIKeyWEBNJDIQBIYPNA-UHFFFAOYSA-N
XLogP2.41
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminophenyl)-N-(5-bromo-6-methyl-2-pyridinyl)methanesulfonamide
CID 79048786
3-(aminomethyl)-N-(2-bromo-3-methylphenyl)benzenesulfonamide
CID 106073882
N-(5-bromo-6-methyl-2-pyridinyl)-4-(2-chloroethyl)benzenesulfonamide
CID 79041281
3-(aminomethyl)-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 106087505
3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106019052
N-(5-bromo-6-methyl-2-pyridinyl)-6-chloropyridine-3-sulfonamide
CID 79048643
N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 25035957
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-fluorobenzenesulfonamide
CID 79048558
3-(aminomethyl)-N-[4-(2,6-dimethylphenyl)-6-methoxypyrimidin-2-yl]benzenesulfonamide
CID 170417979
5-amino-3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 79042026
N-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 5237791
N-(5-bromo-6-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-sulfonamide
CID 79048219

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide (CID 106070385) is 3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2cccc(CN)c2)ccc1Br.
What is the InChIKey of 3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is WEBNJDIQBIYPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-9-12(14)5-6-13(16-9)17-20(18,19)11-4-2-3-10(7-11)8-15/h2-7H,8,15H2,1H3,(H,16,17).
What are the key properties of 3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide?
3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 356.25 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 106070385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).