5-[(4-aminophenyl)sulfonylamino]-2-[(E)-2-[4-[(4-aminophenyl)sulfonylamino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
Formula:C26H24N4O10S4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-[(4-aminophenyl)sulfonylamino]-2-[(E)-2-[4-[(4-aminophenyl)sulfonylamino]-2-sulfophenyl]ethenyl]benzenesulfonic acid is not a drug-like molecule.
| MolName | 5-[(4-aminophenyl)sulfonylamino]-2-[(E)-2-[4-[(4-aminophenyl)sulfonylamino]-2-sulfophenyl]ethenyl]benzenesulfonic acid |
| MolecularFormula | C26H24N4O10S4 |
| Smiles | Nc(cc1)ccc1S(Nc1cc(S(O)(=O)=O)c(/C=C/c(ccc(NS(c(cc2)ccc2N)(=O)=O)c2)c2S(O)(=O)=O)cc1)(=O)=O |
| InChI | InChI=1S/C26H24N4O10S4/c27-19-5-11-23(12-6-19)41(31,32)29-21-9-3-17(25(15-21)43(35,36)37)1-2-18-4-10-22(16-26(18)44(38,39)40)30-42(33,34)24-13-7-20(28)8-14-24/h1-16,29-30H,27-28H2,(H,35,36,37)(H,38,39,40) |
| InChIK | YZHOKWSHDIYOOM-UHFFFAOYSA-N |
| TotalMolweight | 680.759 |
| Molweight | 680.759 |
| MonoisotopicMass | 680.037526 |
| CLogP | -1.3484 |
| CLogS | -3.782 |
| H Acceptors | 14 |
| H Donors | 6 |
| TotalSurfaceArea | 446.02 |
| Relative PSA | 0.43491 |
| PolarSurfaceArea | 286.64 |
| Druglikeness | 1.5059 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 44 |
| NonCHAtoms | 18 |
| Electronegative Atoms | 18 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 26 |
| Amides | 2 |
| Amines | 2 |
| Aromatic Amines | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 5-[(4-aminophenyl)sulfonylamino]-2-[(E)-2-[4-[(4-aminophenyl)sulfonylamino]-2-sulfophenyl]ethenyl]benzenesulfonic acid | 2 - 5-[(4-aminophenyl)sulfonylamino]-2-[(E)-2-[4-[(4-aminophenyl)sulfonylamino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
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