| CAS Number | 116-41-6 |
| Catalog Number | AG019EW9 |
| Chemical Name | N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1-sulfonamide |
| IUPAC Name | N-(2-methoxy-5-methylphenyl)-4-methylbenzenesulfonamide |
| InChI | InChI=1S/C15H17NO3S/c1-11-4-7-13(8-5-11)20(17,18)16-14-10-12(2)6-9-15(14)19-3/h4-10,16H,1-3H3 |
| InChI Key | QDYAIVOXDZTGTJ-UHFFFAOYSA-N |
| MDL Number | MFCD05170076 |
| Molecular Formula | C15H17NO3S |
| Molecular Weight | 291.3654 |
| SMILES | COc1ccc(C)cc1NS(=O)(=O)c1ccc(C)cc1 |
| Synonyms | N-(2-methoxy-5-methylphenyl)-4-methylbenzenesulfonamide,
116-41-6,
AC1LGDYM,
Oprea1_281199,
Oprea1_745311,
SCHEMBL8752466,
ZINC335579,
STK161202,
AKOS001415548,
MCULE-7073171930,
BAS 00368670,
CS-0061317,
ST51013559,
SR-01000363109,
SR-01000363109-1,
(2-methoxy-5-methylphenyl)[(4-methylphenyl)sulfonyl]amine,
N-(2-Methoxy-5-methyl-phenyl)-4-methyl-benzenesulfonamide,
CID819713,
ZINC00335579,
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| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.365g/mol |
| Monoisotopic Mass | 291.093g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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