| CAS Number | 68502-28-3 |
| Catalog Number | AG00IBUE(AGN-PC-0WQWM4) |
| Chemical Name | N-Methyl-4-(methylamino)-3-nitrobenzenesulfonamide |
| IUPAC Name | N-methyl-4-(methylamino)-3-nitrobenzenesulfonamide |
| InChI | InChI=1S/C8H11N3O4S/c1-9-7-4-3-6(16(14,15)10-2)5-8(7)11(12)13/h3-5,9-10H,1-2H3 |
| InChI Key | RZJVXIKQMVCDHG-UHFFFAOYSA-N |
| MDL Number | MFCD00089053 |
| Molecular Formula | C8H11N3O4S |
| Molecular Weight | 245.2556 |
| SMILES | CNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)NC |
| Synonyms | N-methyl-4-(methylamino)-3-nitrobenzenesulfonamide,
68502-28-3,
AC1NCG1U,
MLS000776628,
CHEMBL1517277,
4-(METHYLAMINO)-N-METHYL-3-NITROBENZENESULFONAMIDE,
HMS2685I23,
ZINC5209384,
AKOS001051388,
MCULE-9661597191,
SMR000371879,
SR-01000050235,
SR-01000050235-1,
N-methyl-4-(methylamino)-3-nitrobenzene-1-sulfonamide,
Z31222859,
ZINC05209384,
CID4558331,
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| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.253g/mol |
| Monoisotopic Mass | 245.047g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number