| CAS Number | 349085-55-8 |
| Catalog Number | AG019ERV |
| Chemical Name | 4-methyl-N-(2-methyl-3-nitrophenyl)benzene-1-sulfonamide |
| IUPAC Name | 4-methyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide |
| InChI | InChI=1S/C14H14N2O4S/c1-10-6-8-12(9-7-10)21(19,20)15-13-4-3-5-14(11(13)2)16(17)18/h3-9,15H,1-2H3 |
| InChI Key | LWTSHXRYWUUXMO-UHFFFAOYSA-N |
| MDL Number | MFCD01134317 |
| Molecular Formula | C14H14N2O4S |
| Molecular Weight | 306.3370 |
| SMILES | Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1C)[N+]([O-])=O |
| Synonyms | 4-methyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide,
349085-55-8,
AC1LGC3N,
ZINC293681,
STK087280,
AKOS000644285,
MCULE-6005131026,
BAS 02066253,
CS-0061323,
ST50701230,
SR-01000363165,
SR-01000363165-1,
(2-methyl-3-nitrophenyl)[(4-methylphenyl)sulfonyl]amine,
4-Methyl-N-(2-methyl-3-nitro-phenyl)-benzenesulfonamide,
4-Methyl-N-(2-methyl-3-nitrophenyl)-Benzenesulfonamide,
CID792303,
ZINC00293681,
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| Complexity | 460 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.336g/mol |
| Monoisotopic Mass | 306.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 100A^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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