4-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]pyrrol-1-yl]benzenesulfonamide
Formula:C20H15N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]pyrrol-1-yl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]pyrrol-1-yl]benzenesulfonamide |
| MolecularFormula | C20H15N5O2S |
| Smiles | NS(c(cc1)ccc1-n1c(/C=C(/c2nc(cccc3)c3[nH]2)\C#N)ccc1)(=O)=O |
| InChI | InChI=1S/C20H15N5O2S/c21-13-14(20-23-18-5-1-2-6-19(18)24-20)12-16-4-3-11-25(16)15-7-9-17(10-8-15)28(22,26)27/h1-12H,(H,23,24)(H2,22,26,27) |
| InChIK | CEUBSGZWIVLHPX-UHFFFAOYSA-N |
| TotalMolweight | 389.438 |
| Molweight | 389.438 |
| MonoisotopicMass | 389.094645 |
| CLogP | 1.8246 |
| CLogS | -5.36 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 288.43 |
| Relative PSA | 0.3094 |
| PolarSurfaceArea | 125.94 |
| Druglikeness | -0.4176 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]pyrrol-1-yl]benzenesulfonamide | 2 - 4-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]pyrrol-1-yl]benzenesulfonamide
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