| CAS Number | 377769-52-3 |
| Catalog Number | AG019H3H |
| Chemical Name | N-(4-aminophenyl)-2-methyl-5-nitrobenzene-1-sulfonamide |
| IUPAC Name | N-(4-aminophenyl)-2-methyl-5-nitrobenzenesulfonamide |
| InChI | InChI=1S/C13H13N3O4S/c1-9-2-7-12(16(17)18)8-13(9)21(19,20)15-11-5-3-10(14)4-6-11/h2-8,15H,14H2,1H3 |
| InChI Key | POKPHEDBFKATIT-UHFFFAOYSA-N |
| MDL Number | MFCD02714416 |
| Molecular Formula | C13H13N3O4S |
| Molecular Weight | 307.3250 |
| SMILES | CC1=C(S(NC2=CC=C(N)C=C2)(=O)=O)C=C([N+]([O-])=O)C=C1 |
| Synonyms | N-(4-aminophenyl)-2-methyl-5-nitrobenzene-1-sulfonamide,
377769-52-3,
N-(4-Amino-phenyl)-2-methyl-5-nitro-benzenesulfonamide,
AC1MY7FT,
AC1Q2LUG,
CTK7D7708,
ZINC3885493,
SBB042515,
AKOS000115472,
MCULE-5722146437,
NE12250,
EN300-02407,
SR-01000030519,
SR-01000030519-1,
N-(4-aminophenyl)-2-methyl-5-nitrobenzenesulfonamide,
Z56804660,
(4-aminophenyl)[(2-methyl-5-nitrophenyl)sulfonyl]amine,
ZINC03885493,
CID3852344,
|
| Complexity | 463 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.324g/mol |
| Monoisotopic Mass | 307.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 126A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number