N'-(benzenesulfonyl)-N-[(4-nitrobenzoyl)amino]benzenecarboximidamide
Formula:C20H16N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-N-[(4-nitrobenzoyl)amino]benzenecarboximidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-[(4-nitrobenzoyl)amino]benzenecarboximidamide |
| MolecularFormula | C20H16N4O5S |
| Smiles | [O-][N+](c(cc1)ccc1C(NN/C(/c1ccccc1)=N/S(c1ccccc1)(=O)=O)=O)=O |
| InChI | InChI=1S/C20H16N4O5S/c25-20(16-11-13-17(14-12-16)24(26)27)22-21-19(15-7-3-1-4-8-15)23-30(28,29)18-9-5-2-6-10-18/h1-14H,(H,21,23)(H,22,25) |
| InChIK | HXQZXLJVIQVVEE-UHFFFAOYSA-N |
| TotalMolweight | 424.436 |
| Molweight | 424.436 |
| MonoisotopicMass | 424.084141 |
| CLogP | 1.6005 |
| CLogS | -4.862 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 308.67 |
| Relative PSA | 0.34493 |
| PolarSurfaceArea | 141.83 |
| Druglikeness | -16.008 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N'-(benzenesulfonyl)-N-[(4-nitrobenzoyl)amino]benzenecarboximidamide | 2 - N'-(benzenesulfonyl)-N-[(4-nitrobenzoyl)amino]benzenecarboximidamide
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