| CAS Number | 926215-09-0 |
| Catalog Number | AG019L1S |
| Chemical Name | N-(4-amino-2-methylphenyl)-3-methanesulfonylbenzamide |
| IUPAC Name | N-(4-amino-2-methylphenyl)-3-methylsulfonylbenzamide |
| InChI | InChI=1S/C15H16N2O3S/c1-10-8-12(16)6-7-14(10)17-15(18)11-4-3-5-13(9-11)21(2,19)20/h3-9H,16H2,1-2H3,(H,17,18) |
| InChI Key | TVPJTRFAOUIXHT-UHFFFAOYSA-N |
| MDL Number | MFCD09043026 |
| Molecular Formula | C15H16N2O3S |
| Molecular Weight | 304.3641 |
| SMILES | CC1=C(NC(C2=CC(S(C)(=O)=O)=CC=C2)=O)C=CC(N)=C1 |
| Synonyms | N-(4-amino-2-methylphenyl)-3-methanesulfonylbenzamide,
926215-09-0,
N-(4-amino-2-methylphenyl)-3-(methylsulfonyl)benzamide,
AC1Q2FQM,
CTK7D6320,
ZINC12609366,
AKOS000127240,
MCULE-2467834011,
NE18425,
EN300-29554,
Z295124122,
|
| Complexity | 472 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.364g/mol |
| Monoisotopic Mass | 304.088g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 97.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number