N-[(Z)-(2-nitrophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
Formula:C18H18N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-nitrophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide |
| MolecularFormula | C18H18N4O5S |
| Smiles | [O-][N+](c1c(/C=N\NC(c2cccc(S(N3CCCC3)(=O)=O)c2)=O)cccc1)=O |
| InChI | InChI=1S/C18H18N4O5S/c23-18(20-19-13-15-6-1-2-9-17(15)22(24)25)14-7-5-8-16(12-14)28(26,27)21-10-3-4-11-21/h1-2,5-9,12-13H,3-4,10-11H2,(H,20,23) |
| InChIK | XIJHPLFBXUZRGA-UHFFFAOYSA-N |
| TotalMolweight | 402.43 |
| Molweight | 402.43 |
| MonoisotopicMass | 402.099791 |
| CLogP | 2.1448 |
| CLogS | -4.006 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 291.08 |
| Relative PSA | 0.3386 |
| PolarSurfaceArea | 133.04 |
| Druglikeness | -6.2991 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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