| CAS Number | 742118-95-2 |
| Catalog Number | AG00ICHZ(AGN-PC-0WR4HE) |
| Chemical Name | 4-acetyl-N-[(4-fluorophenyl)methyl]benzene-1-sulfonamide |
| IUPAC Name | 4-acetyl-N-[(4-fluorophenyl)methyl]benzenesulfonamide |
| InChI | InChI=1S/C15H14FNO3S/c1-11(18)13-4-8-15(9-5-13)21(19,20)17-10-12-2-6-14(16)7-3-12/h2-9,17H,10H2,1H3 |
| InChI Key | YDVGJYFZJBEFKO-UHFFFAOYSA-N |
| MDL Number | MFCD05261918 |
| Molecular Formula | C15H14FNO3S |
| Molecular Weight | 307.3400 |
| SMILES | CC(C1=CC=C(S(NCC2=CC=C(F)C=C2)(=O)=O)C=C1)=O |
| Synonyms | 4-acetyl-N-(4-fluorobenzyl)benzenesulfonamide,
742118-95-2,
4-acetyl-N-[(4-fluorophenyl)methyl]benzene-1-sulfonamide,
AC1Q1JPV,
AC1M0IW0,
CTK7C0537,
ZINC2615935,
MFCD05261918,
AKOS000116928,
MCULE-3334051131,
NE38881,
EN300-08401,
SR-01000050201,
SR-01000050201-1,
4-acetyl-N-[(4-fluorophenyl)methyl]benzenesulfonamide,
Z45546100,
ZINC02615935,
CID2077663,
|
| Complexity | 444 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.339g/mol |
| Monoisotopic Mass | 307.068g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number