| CAS Number | 70176-69-1 |
| Catalog Number | AG00IC0W(AGN-PC-0JM8TH) |
| Chemical Name | N-Ethyl-N-(P-toluenesulfonyl)anthranilic acid |
| IUPAC Name | 2-[ethyl-(4-methylphenyl)sulfonylamino]benzoic acid |
| InChI | InChI=1S/C16H17NO4S/c1-3-17(15-7-5-4-6-14(15)16(18)19)22(20,21)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3,(H,18,19) |
| InChI Key | LPFJVFYQRJNNHQ-UHFFFAOYSA-N |
| MDL Number | MFCD00089932 |
| Molecular Formula | C16H17NO4S |
| Molecular Weight | 319.3755 |
| NSC Number | 331967 |
| SMILES | CCN(S(=O)(=O)c1ccc(cc1)C)c1ccccc1C(=O)O |
| Synonyms | 70176-69-1,
N-ETHYL-N-(P-TOLUENESULFONYL)ANTHRANILIC ACID,
NSC331967,
AC1L7BUX,
AC1Q2YPX,
2-[ethyl-(4-methylphenyl)sulfonylamino]benzoic acid,
SCHEMBL1688338,
DTXSID60318491,
ZINC397462,
AKOS005060875,
MCULE-7954596038,
NSC-331967,
BP-13115,
OR322549,
2-[N-ethyl(4-methylbenzene)sulfonamido]benzoic acid,
2-{ethyl[(4-methylphenyl)sulfonyl]amino}benzoic acid,
2-[Ethyl(4-methylbenzene-1-sulfonyl)amino]benzoic acid,
CID332779,
|
| Complexity | 477 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.375g/mol |
| Monoisotopic Mass | 319.088g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number