N-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide

C13H13BrN2O3S — CID 104821473

IUPACN-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(Br)n1
InChIInChI=1S/C13H13BrN2O3S/c1-9-6-7-10(19-2)11(8-9)20(17,18)16-13-5-3-4-12(14)15-13/h3-8H,1-2H3,(H,15,16)
InChIKeyZQMQMKGFFOZOPE-UHFFFAOYSA-N
MW357.23 g/mol
LogP2.96
Rot. Bonds4

About N-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide

N-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 104821473) has the molecular formula C13H13BrN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID104821473
Molecular FormulaC13H13BrN2O3S
Molecular Weight357.23 g/mol
Exact Mass355.98
IUPAC NameN-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(Br)n1
InChIInChI=1S/C13H13BrN2O3S/c1-9-6-7-10(19-2)11(8-9)20(17,18)16-13-5-3-4-12(14)15-13/h3-8H,1-2H3,(H,15,16)
InChIKeyZQMQMKGFFOZOPE-UHFFFAOYSA-N
XLogP2.96
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(6-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 115631102
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 123681136
5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 104821613
N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 104620618
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
2,5-dimethoxy-4-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 6463553
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
CID 103098110
N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 35593263
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide (CID 104821473) is N-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1cccc(Br)n1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is ZQMQMKGFFOZOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S/c1-9-6-7-10(19-2)11(8-9)20(17,18)16-13-5-3-4-12(14)15-13/h3-8H,1-2H3,(H,15,16).
What are the key properties of N-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide?
N-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 357.23 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 104821473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).