TL;DR: Benzenesulfonamide, 3-nitro-4-(phenylamino)- (CAS 12223-84-6) is a chemical compound with molecular formula C12H11N3O4S and molecular weight 293.04703 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-anilino-3-nitrobenzenesulfonamide
Also Known As: 4-anilino-3-nitrobenzenesulfonamide, Benzenesulfonamide, 3-nitro-4-(phenylamino)-, 4-Anilino-3-nitrobenzenesulphonamide, 3-Nitro-4-(phenylamino)benzenesulfonamide, Sulfanilamide, 3-nitro-N4-phenyl-
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H11N3O4S |
| Molecular Weight | 293.04703 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.04703 Da |
| Heavy Atoms | 20 |
| Complexity | 437.0 |
| SMILES | C1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] |
| InChIKey | JNMYHXDAWVTDMS-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonamide, 3-nitro-4-(phenylamino)-. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonamide, 3-nitro-4-(phenylamino)-. Following Lipinski's Rule of Five, Benzenesulfonamide, 3-nitro-4-(phenylamino)- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzenesulfonamide, 3-nitro-4-(phenylamino)- is 12223-84-6.
The molecular formula of Benzenesulfonamide, 3-nitro-4-(phenylamino)- is C12H11N3O4S.
The molecular weight of Benzenesulfonamide, 3-nitro-4-(phenylamino)- is 293.04703 g/mol.
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