N-[N-(benzenesulfonyl)-S-benzylsulfinimidoyl]benzenesulfonamide
Formula:C19H18N2O4S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[N-(benzenesulfonyl)-S-benzylsulfinimidoyl]benzenesulfonamide is a drug-like molecule.
| MolName | N-[N-(benzenesulfonyl)-S-benzylsulfinimidoyl]benzenesulfonamide |
| MolecularFormula | C19H18N2O4S3 |
| Smiles | O=S(c1ccccc1)(N/S(/Cc1ccccc1)=N\S(c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C19H20N2O4S3/c22-27(23,18-12-6-2-7-13-18)20-26(16-17-10-4-1-5-11-17)21-28(24,25)19-14-8-3-9-15-19/h1-15H,16,26H2,(H,20,21) |
| InChIK | LVYWTBRHAHPNKL-UHFFFAOYSA-N |
| TotalMolweight | 434.56 |
| Molweight | 434.56 |
| MonoisotopicMass | 434.042868 |
| CLogP | 3.0659 |
| CLogS | -2.2 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 303.1 |
| Relative PSA | 0.2963 |
| PolarSurfaceArea | 128.64 |
| Druglikeness | -9.4865 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| StereoCon | racemate |
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