N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide
Formula:C15H13N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide |
| MolecularFormula | C15H13N3O4S |
| Smiles | [O-][N+](c1c(/C=C/C=N\NS(c2ccccc2)(=O)=O)cccc1)=O |
| InChI | InChI=1S/C15H13N3O4S/c19-18(20)15-11-5-4-7-13(15)8-6-12-16-17-23(21,22)14-9-2-1-3-10-14/h1-12,17H |
| InChIK | KDFIONCOMQPRLF-UHFFFAOYSA-N |
| TotalMolweight | 331.351 |
| Molweight | 331.351 |
| MonoisotopicMass | 331.062677 |
| CLogP | 1.3738 |
| CLogS | -2.668 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 247.99 |
| Relative PSA | 0.33054 |
| PolarSurfaceArea | 112.73 |
| Druglikeness | -11.989 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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