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

C13H14BrN3O2S — CID 83166969

IUPAC3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(Br)cc2C)cc1N
InChIInChI=1S/C13H14BrN3O2S/c1-8-3-4-11(6-12(8)15)20(18,19)17-13-9(2)5-10(14)7-16-13/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyWCBRIGYKVMASSQ-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.84
Rot. Bonds3

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

3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide (PubChem CID 83166969) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
PubChem CID83166969
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(Br)cc2C)cc1N
InChIInChI=1S/C13H14BrN3O2S/c1-8-3-4-11(6-12(8)15)20(18,19)17-13-9(2)5-10(14)7-16-13/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyWCBRIGYKVMASSQ-UHFFFAOYSA-N
XLogP2.84
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83167153
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)-4-methylbenzenesulfonamide
CID 3707441
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 83170644
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylbenzenesulfonamide
CID 103171723
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide
CID 83166245
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-6-methylbenzenesulfonamide
CID 83166511
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
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dimethylbenzenesulfonamide
CID 83165910
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 83166077

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide (CID 83166969) is 3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncc(Br)cc2C)cc1N.
What is the InChIKey of 3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide?
The InChIKey is WCBRIGYKVMASSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-8-3-4-11(6-12(8)15)20(18,19)17-13-9(2)5-10(14)7-16-13/h3-7H,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide?
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide has a molecular weight of 356.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 83166969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).