2-(benzenesulfonamido)-N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]acetamide
Formula:C19H22N4O3Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(benzenesulfonamido)-N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(benzenesulfonamido)-N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]acetamide |
| MolecularFormula | C19H22N4O3Cl2S |
| Smiles | O=C(CNS(c1ccccc1)(=O)=O)N/N=C\c(cc1)ccc1N(CCCl)CCCl |
| InChI | InChI=1S/C19H22Cl2N4O3S/c20-10-12-25(13-11-21)17-8-6-16(7-9-17)14-22-24-19(26)15-23-29(27,28)18-4-2-1-3-5-18/h1-9,14,23H,10-13,15H2,(H,24,26) |
| InChIK | VWHHOQMXSXLIBZ-UHFFFAOYSA-N |
| TotalMolweight | 457.381 |
| Molweight | 457.381 |
| MonoisotopicMass | 456.078965 |
| CLogP | 3.1395 |
| CLogS | -4.474 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 336.97 |
| Relative PSA | 0.23622 |
| PolarSurfaceArea | 99.25 |
| Druglikeness | 0.97255 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 10 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-(benzenesulfonamido)-N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]acetamide | 2 - 2-(benzenesulfonamido)-N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]acetamide
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