3-nitro-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
Formula:C25H20N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-nitro-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 3-nitro-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C25H20N4O4S |
| Smiles | [O-][N+](c1cccc(S(N/N=C\c(cc2)ccc2N(c2ccccc2)c2ccccc2)(=O)=O)c1)=O |
| InChI | InChI=1S/C25H20N4O4S/c30-29(31)24-12-7-13-25(18-24)34(32,33)27-26-19-20-14-16-23(17-15-20)28(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-19,27H |
| InChIK | RSDJPWSENXQNEC-UHFFFAOYSA-N |
| TotalMolweight | 472.524 |
| Molweight | 472.524 |
| MonoisotopicMass | 472.120526 |
| CLogP | 3.9499 |
| CLogS | -6.552 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 351.31 |
| Relative PSA | 0.24343 |
| PolarSurfaceArea | 115.97 |
| Druglikeness | -8.4915 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 11 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-nitro-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide | 2 - 3-nitro-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
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