N'-(benzenesulfonyl)-N-(4-nitrophenyl)benzenecarboximidamide
Formula:C19H15N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-N-(4-nitrophenyl)benzenecarboximidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-(4-nitrophenyl)benzenecarboximidamide |
| MolecularFormula | C19H15N3O4S |
| Smiles | [O-][N+](c(cc1)ccc1N/C(/c1ccccc1)=N\S(c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C19H15N3O4S/c23-22(24)17-13-11-16(12-14-17)20-19(15-7-3-1-4-8-15)21-27(25,26)18-9-5-2-6-10-18/h1-14H,(H,20,21) |
| InChIK | TVAYDYDQSCEIAL-UHFFFAOYSA-N |
| TotalMolweight | 381.411 |
| Molweight | 381.411 |
| MonoisotopicMass | 381.078327 |
| CLogP | 2.79 |
| CLogS | -4.68 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 279.46 |
| Relative PSA | 0.29332 |
| PolarSurfaceArea | 112.73 |
| Druglikeness | -16.669 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| 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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