N'-(benzenesulfonyl)-N-(2-nitrophenyl)sulfonylbenzenecarboximidamide
Formula:C19H15N3O6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-N-(2-nitrophenyl)sulfonylbenzenecarboximidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-(2-nitrophenyl)sulfonylbenzenecarboximidamide |
| MolecularFormula | C19H15N3O6S2 |
| Smiles | [O-][N+](c(cccc1)c1S(N/C(/c1ccccc1)=N/S(c1ccccc1)(=O)=O)(=O)=O)=O |
| InChI | InChI=1S/C19H15N3O6S2/c23-22(24)17-13-7-8-14-18(17)30(27,28)21-19(15-9-3-1-4-10-15)20-29(25,26)16-11-5-2-6-12-16/h1-14H,(H,20,21) |
| InChIK | HQTGIULYGWXCRR-UHFFFAOYSA-N |
| TotalMolweight | 445.475 |
| Molweight | 445.475 |
| MonoisotopicMass | 445.040227 |
| CLogP | 2.2684 |
| CLogS | -4.173 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 308.04 |
| Relative PSA | 0.35888 |
| PolarSurfaceArea | 155.25 |
| Druglikeness | -11.86 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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