N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide
Formula:C21H19N3O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide is a drug-like molecule.
| MolName | N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide |
| MolecularFormula | C21H19N3O3S |
| Smiles | Cc(cc1)ccc1S(Nc(cc1)cc(nc2)c1n2-c(cc1)ccc1OC)(=O)=O |
| InChI | InChI=1S/C21H19N3O3S/c1-15-3-10-19(11-4-15)28(25,26)23-16-5-12-21-20(13-16)22-14-24(21)17-6-8-18(27-2)9-7-17/h3-14,23H,1-2H3 |
| InChIK | VNPZELIQHSJNSP-UHFFFAOYSA-N |
| TotalMolweight | 393.466 |
| Molweight | 393.466 |
| MonoisotopicMass | 393.114712 |
| CLogP | 3.2946 |
| CLogS | -6.811 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 289.9 |
| Relative PSA | 0.23415 |
| PolarSurfaceArea | 81.6 |
| Druglikeness | -6.6251 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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