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Home > Sulfanilamide > 89392-05-2
89392-05-2 | Benzenesulfonamide, 2-(phenylethynyl)-
CAS No: 89392-05-2 Catalog No: AG0058GR MDL No:
Product Description
Catalog Number:
AG0058GR
Chemical Name:
Benzenesulfonamide, 2-(phenylethynyl)-
CAS Number:
89392-05-2
Molecular Formula:
C14H11NO2S
Molecular Weight:
257.3076
IUPAC Name:
2-(2-phenylethynyl)benzenesulfonamide
InChI:
InChI=1S/C14H11NO2S/c15-18(16,17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H2,15,16,17)
InChI Key:
KTINRAQJJPNJIV-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)c1ccccc1C#Cc1ccccc1
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.307g/mol
Monoisotopic Mass:
257.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Phenylethynylbenzenesulfonamide regioisomers strongly and selectively inhibit the transmembrane, tumor-associated carbonic anhydrase isoforms IX and XII over the cytosolic isoforms I and II. | Bioorganic & medicinal chemistry letters 20111001 |
| Synthesis and biological evaluation of linear phenylethynylbenzenesulfonamide regioisomers as cyclooxygenase-1/-2 (COX-1/-2) inhibitors. | Bioorganic & medicinal chemistry 20060801 |
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