N-benzyl-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide
Formula:C26H21N2O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide is not a drug-like molecule.
| MolName | N-benzyl-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide |
| MolecularFormula | C26H21N2O2ClS |
| Smiles | O=S(c(cc1)ccc1Cl)(/N=C(/c1ccccc1)\N(Cc1ccccc1)c1ccccc1)=O |
| InChI | InChI=1S/C26H21ClN2O2S/c27-23-16-18-25(19-17-23)32(30,31)28-26(22-12-6-2-7-13-22)29(24-14-8-3-9-15-24)20-21-10-4-1-5-11-21/h1-19H,20H2 |
| InChIK | DYCDXGWXSGUSJF-UHFFFAOYSA-N |
| TotalMolweight | 460.984 |
| Molweight | 460.984 |
| MonoisotopicMass | 460.101225 |
| CLogP | 6.2832 |
| CLogS | -6.255 |
| H Acceptors | 4 |
| TotalSurfaceArea | 343.57 |
| Relative PSA | 0.12702 |
| PolarSurfaceArea | 58.12 |
| Druglikeness | 6.2947 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 9 |
| BasicNitrogens | 1 |
| StereoCon |
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