4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide

C13H13BrN2O3S — CID 16644702

IUPAC4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccn2)c(C)cc1Br
InChIInChI=1S/C13H13BrN2O3S/c1-9-7-10(14)11(19-2)8-12(9)20(17,18)16-13-5-3-4-6-15-13/h3-8H,1-2H3,(H,15,16)
InChIKeyXPOLBCORNDRMEN-UHFFFAOYSA-N
MW357.23 g/mol
LogP2.96
Rot. Bonds4

About 4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide

4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 16644702) has the molecular formula C13H13BrN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is 4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide
PubChem CID16644702
Molecular FormulaC13H13BrN2O3S
Molecular Weight357.23 g/mol
Exact Mass355.98
IUPAC Name4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccn2)c(C)cc1Br
InChIInChI=1S/C13H13BrN2O3S/c1-9-7-10(14)11(19-2)8-12(9)20(17,18)16-13-5-3-4-6-15-13/h3-8H,1-2H3,(H,15,16)
InChIKeyXPOLBCORNDRMEN-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

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Related Compounds

4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986032
2,4-dimethyl-5-propoxy-N-pyridin-2-ylbenzenesulfonamide
CID 15943748
2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 60824838
2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide
CID 2991807
5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide
CID 102945838
4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986731
2,3,4,5-tetramethyl-N-pyridin-2-ylbenzenesulfonamide
CID 16644704
N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100729224
5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 25048503
4-bromo-2,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
CID 2809182
4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 106996553
2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082623

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide (CID 16644702) is 4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide is COc1cc(S(=O)(=O)Nc2ccccn2)c(C)cc1Br.
What is the InChIKey of 4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is XPOLBCORNDRMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S/c1-9-7-10(14)11(19-2)8-12(9)20(17,18)16-13-5-3-4-6-15-13/h3-8H,1-2H3,(H,15,16).
What are the key properties of 4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide?
4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide 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 4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 16644702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).