4-Bromo-N-(2-pyridyl)benzenesulfonamide - CAS 3609-89-0
Catalog: |
BB061972 |
Product Name: |
4-Bromo-N-(2-pyridyl)benzenesulfonamide |
CAS: |
3609-89-0 |
Synonyms: |
p-Bromo-N-2-pyridylbenzenesulfonamide; 4-bromo-N-2-pyridinylbenzenesulfonamide |
IUPAC Name: | 4-bromo-N-pyridin-2-ylbenzenesulfonamide |
Description: | 4-Bromo-N-(2-pyridyl)benzenesulfonamide is an intermediate in the synthesis of Sulfasalazine (S699084) related compounds. |
Molecular Weight: | 313.17 |
Molecular Formula: | C11H9BrN2O2S |
Canonical SMILES: | C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)Br |
InChI: | InChI=1S/C11H9BrN2O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,(H,13,14) |
InChI Key: | FTYAOASOWZRBHV-UHFFFAOYSA-N |
Solubility: | Chloroform, DMSO, DCM, Methanol |
Appearance: | White Solid |
References: | Pholpramool, C., et al. J. Reproduct. Fertility., 92, 169 (1991); Keasling, H., et al. J. Med. Chem., 8, 548 (1965). |
Complexity: | 334 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 311.95681 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 311.95681 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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