| CAS Number | 173436-66-3 |
| Catalog Number | AG01BVSO(AGN-PC-0K1CGN) |
| Chemical Name | Methyl 3-(4-methylbenzenesulfonamido)benzoate |
| IUPAC Name | methyl 3-[(4-methylphenyl)sulfonylamino]benzoate |
| InChI | InChI=1S/C15H15NO4S/c1-11-6-8-14(9-7-11)21(18,19)16-13-5-3-4-12(10-13)15(17)20-2/h3-10,16H,1-2H3 |
| InChI Key | CVKBYFCJQSPBOI-UHFFFAOYSA-N |
| MDL Number | MFCD00994918 |
| Molecular Formula | C15H15NO4S |
| Molecular Weight | 305.3489 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)OC |
| Synonyms | methyl 3-(((4-methylphenyl)sulfonyl)amino)benzoate,
METHYL 3-(4-METHYLBENZENESULFONAMIDO)BENZOATE,
173436-66-3,
methyl 3-{[(4-methylphenyl)sulfonyl]amino}benzoate,
SCHEMBL16116948,
ZINC910093,
MSAB, >=95% (HPLC),
STK408576,
AKOS000511305,
MCULE-9363293727,
3-(Tosylamino)benzoic acid methyl ester,
ST50271870,
SR-01000367943,
SR-01000367943-1,
BAS 03377418,
CID1159052,
methyl 3-[(4-methylphenyl)sulfonyl]amino-benzoate,
3-(Toluene-4-sulfonylamino)-benzoic acid methyl ester,
|
| Complexity | 449 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.072179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.4g/mol |
| Monoisotopic Mass | 305.072179g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number