AC1MGYNN
N-[2-[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitroanilino]ethyl]-4-methylbenzenesulfonamide
Also Known As: N-[2-[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitroanilino]ethyl]-4-methylbenzenesulfonamide|N-(2-((3-((1H-benzo[d]imidazol-2-yl)thio)-4-nitrophenyl)amino)ethyl)-4-methylbenzenesulfonamide|N-(2-{[3-(1H-1,3-BENZODIAZOL-2-YLSULFANYL)-4-NITROPHENYL]AMINO}ETHYL)-4-METHYLBENZENE-1-SULFONAMIDE|N-(2-{[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitrophenyl]amino}ethyl)-4-methylbenzenesulfonamide|N-[2-[[3-(1H-benzoimidazol-2-ylsulfanyl)-4-nitro-phenyl]amino]ethyl]-4-methyl-benzenesulfonamide
| Molecular Formula | C22H21N5O4S2 |
|---|---|
| Molecular Weight | 483.1035 g/mol |
| LogP | 4.32112 |
| Topological Polar Surface Area | 130.02 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 483.1035 |
| Monoisotopic Mass | 483.1035 |
| Heavy Atoms | 33 |
| Complexity | 1369.091 |
Chemical Identifiers
| CAS Number | 593237-67-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCNC2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3 |
Product Overview
AC1MGYNN (CAS 593237-67-3), with molecular formula C22H21N5O4S2 and molecular weight 483.1035 g/mol. IUPAC: N-[2-[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitroanilino]ethyl]-4-methylbenzenesulfonamide.