3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide
Formula:C22H17N4O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide |
| MolecularFormula | C22H17N4O5ClS |
| Smiles | [O-][N+](c1c(/C=C/C=N\NC(c2cccc(S(Nc(cc3)ccc3Cl)(=O)=O)c2)=O)cccc1)=O |
| InChI | InChI=1S/C22H17ClN4O5S/c23-18-10-12-19(13-11-18)26-33(31,32)20-8-3-6-17(15-20)22(28)25-24-14-4-7-16-5-1-2-9-21(16)27(29)30/h1-15,26H,(H,25,28) |
| InChIK | UKHFVYJOIPPXRC-UHFFFAOYSA-N |
| TotalMolweight | 484.919 |
| Molweight | 484.919 |
| MonoisotopicMass | 484.060818 |
| CLogP | 3.2034 |
| CLogS | -6.542 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 352.38 |
| Relative PSA | 0.30215 |
| PolarSurfaceArea | 141.83 |
| Druglikeness | -5.2778 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide | 2 - 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide
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