4-[(E)-3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]-N-(2-chlorophenyl)benzenesulfonamide
Formula:C26H28N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]-N-(2-chlorophenyl)benzenesulfonamide is not a drug-like molecule.
| MolName | 4-[(E)-3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]-N-(2-chlorophenyl)benzenesulfonamide |
| MolecularFormula | C26H28N3O4ClS |
| Smiles | O=C(C1(CC(C2)C3)CC3CC2C1)NNC(/C=C/c(cc1)ccc1S(Nc(cccc1)c1Cl)(=O)=O)=O |
| InChI | InChI=1S/C26H28ClN3O4S/c27-22-3-1-2-4-23(22)30-35(33,34)21-8-5-17(6-9-21)7-10-24(31)28-29-25(32)26-14-18-11-19(15-26)13-20(12-18)16-26/h1-10,18-20,30H,11-16H2,(H,28,31)(H,29,32) |
| InChIK | GIBZKAJBGCQDID-UHFFFAOYSA-N |
| TotalMolweight | 514.044 |
| Molweight | 514.044 |
| MonoisotopicMass | 513.148904 |
| CLogP | 3.3052 |
| CLogS | -6.734 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 363.37 |
| Relative PSA | 0.24504 |
| PolarSurfaceArea | 112.75 |
| Druglikeness | 4.0284 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 9 |
| Amides | 1 |
| StereoCon |
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1 - 4-[(E)-3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]-N-(2-chlorophenyl)benzenesulfonamide | 2 - 4-[(E)-3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]-N-(2-chlorophenyl)benzenesulfonamide
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