5-bromo-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide

C13H13BrN2O3S — CID 2422383

IUPAC5-bromo-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C13H13BrN2O3S/c1-2-19-12-6-5-10(14)8-13(12)20(17,18)16-11-4-3-7-15-9-11/h3-9,16H,2H2,1H3
InChIKeyVWPIMJKKWCUZAD-UHFFFAOYSA-N
MW357.23 g/mol
LogP3.04
Rot. Bonds5

About 5-bromo-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide

5-bromo-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 2422383) has the molecular formula C13H13BrN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide
PubChem CID2422383
Molecular FormulaC13H13BrN2O3S
Molecular Weight357.23 g/mol
Exact Mass355.98
IUPAC Name5-bromo-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C13H13BrN2O3S/c1-2-19-12-6-5-10(14)8-13(12)20(17,18)16-11-4-3-7-15-9-11/h3-9,16H,2H2,1H3
InChIKeyVWPIMJKKWCUZAD-UHFFFAOYSA-N
XLogP3.04
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide (CID 2422383) is 5-bromo-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccnc1.
What is the InChIKey of 5-bromo-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is VWPIMJKKWCUZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S/c1-2-19-12-6-5-10(14)8-13(12)20(17,18)16-11-4-3-7-15-9-11/h3-9,16H,2H2,1H3.
What are the key properties of 5-bromo-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide?
5-bromo-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 357.23 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 2422383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).