| CAS Number | 208943-22-0 |
| Catalog Number | AG01BH3D |
| Chemical Name | 4-cyano-N-(3-ethynylphenyl)benzene-1-sulfonamide |
| IUPAC Name | 4-cyano-N-(3-ethynylphenyl)benzenesulfonamide |
| InChI | InChI=1S/C15H10N2O2S/c1-2-12-4-3-5-14(10-12)17-20(18,19)15-8-6-13(11-16)7-9-15/h1,3-10,17H |
| InChI Key | BVVCCXQNTAZSOF-UHFFFAOYSA-N |
| MDL Number | MFCD00103503 |
| Molecular Formula | C15H10N2O2S |
| Molecular Weight | 282.3171 |
| SMILES | O=S(C1=CC=C(C#N)C=C1)(NC1=CC(C#C)=CC=C1)=O |
| Synonyms | 4-cyano-N-(3-ethynylphenyl)benzene-1-sulfonamide,
208943-22-0,
AC1MD4WM,
ZINC142037,
AKOS008377172,
MCULE-7311126013,
4-cyano-N-(3-ethynylphenyl)benzenesulfonamide,
Z240177480,
ZINC00142037,
CID2805762,
|
| Complexity | 523 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.317g/mol |
| Monoisotopic Mass | 282.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number