TL;DR: 4-((6-Amino-4-Pyrimidinyl)Amino)Benzenesulfonamide (CAS 400611-95-2) is a chemical compound with molecular formula C10H11N5O2S and molecular weight 265.06335 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide
Also Known As: 1jsv, 4-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE, 4-((6-Aminopyrimidin-4-yl)amino)benzenesulfonamide, PNU-112455A, 4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H11N5O2S |
| Molecular Weight | 265.06335 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.06335 Da |
| Heavy Atoms | 18 |
| Complexity | 361.0 |
| SMILES | C1=CC(=CC=C1NC2=NC=NC(=C2)N)S(=O)(=O)N |
| InChIKey | FVFVVRPJERUECT-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((6-Amino-4-Pyrimidinyl)Amino)Benzenesulfonamide. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((6-Amino-4-Pyrimidinyl)Amino)Benzenesulfonamide. Following Lipinski's Rule of Five, 4-((6-Amino-4-Pyrimidinyl)Amino)Benzenesulfonamide has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-((6-Amino-4-Pyrimidinyl)Amino)Benzenesulfonamide is 400611-95-2.
The molecular formula of 4-((6-Amino-4-Pyrimidinyl)Amino)Benzenesulfonamide is C10H11N5O2S.
The molecular weight of 4-((6-Amino-4-Pyrimidinyl)Amino)Benzenesulfonamide is 265.06335 g/mol.
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