N'-(4-chloro-3-nitrophenyl)sulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenecarboximidamide
Formula:C22H16N5O6ClS3
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
N'-(4-chloro-3-nitrophenyl)sulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenecarboximidamide is not a drug-like molecule.
| MolName | N'-(4-chloro-3-nitrophenyl)sulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenecarboximidamide |
| MolecularFormula | C22H16N5O6ClS3 |
| Smiles | [O-][N+](c(cc(cc1)S(/N=C(\c2ccccc2)/Nc(cc2)ccc2S(Nc2nccs2)(=O)=O)(=O)=O)c1Cl)=O |
| InChI | InChI=1S/C22H16ClN5O6S3/c23-19-11-10-18(14-20(19)28(29)30)37(33,34)26-21(15-4-2-1-3-5-15)25-16-6-8-17(9-7-16)36(31,32)27-22-24-12-13-35-22/h1-14H,(H,24,27)(H,25,26) |
| InChIK | NEVWRRAVHNDNHE-UHFFFAOYSA-N |
| TotalMolweight | 578.049 |
| Molweight | 578.049 |
| MonoisotopicMass | 576.995122 |
| CLogP | 3.3204 |
| CLogS | -6.482 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 389.38 |
| Relative PSA | 0.39381 |
| PolarSurfaceArea | 208.41 |
| Druglikeness | -2.9253 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48649 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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