| CAS Number | 111448-81-8 |
| Catalog Number | AG00IO3Z(AGN-PC-0KZIVH) |
| Chemical Name | N-(4-ethynylphenyl)methanesulfonamide |
| IUPAC Name | N-(4-ethynylphenyl)methanesulfonamide |
| InChI | InChI=1S/C9H9NO2S/c1-3-8-4-6-9(7-5-8)10-13(2,11)12/h1,4-7,10H,2H3 |
| InChI Key | UCHWGULVMAZIMT-UHFFFAOYSA-N |
| MDL Number | MFCD03012027 |
| Molecular Formula | C9H9NO2S |
| Molecular Weight | 195.2383 |
| SMILES | CS(=O)(NC1=CC=C(C#C)C=C1)=O |
| Synonyms | N-(4-ethynylphenyl)methanesulfonamide,
111448-81-8,
AC1MWHL5,
SCHEMBL478987,
UCHWGULVMAZIMT-UHFFFAOYSA-N,
KS-00001U2U,
ZINC3997424,
MFCD03012027,
AKOS006240690,
MCULE-3224537431,
N-(4-ethynyl-phenyl)-methanesulfonamide,
DA-15473,
Methanesulfonamide, N-(4-ethynylphenyl)-,
FT-0713940,
1T-1150,
N-(4-ethynylphenyl)methanesulfonamide, AldrichCPR,
ZINC03997424,
CID3749345,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.236g/mol |
| Monoisotopic Mass | 195.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number