4-[(4-bromophenyl)sulfonylamino]-N-phenylbenzenesulfonamide
Formula:C18H15N2O4BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(4-bromophenyl)sulfonylamino]-N-phenylbenzenesulfonamide is a drug-like molecule.
| MolName | 4-[(4-bromophenyl)sulfonylamino]-N-phenylbenzenesulfonamide |
| MolecularFormula | C18H15N2O4BrS2 |
| Smiles | O=S(c(cc1)ccc1NS(c(cc1)ccc1Br)(=O)=O)(Nc1ccccc1)=O |
| InChI | InChI=1S/C18H15BrN2O4S2/c19-14-6-10-17(11-7-14)26(22,23)21-16-8-12-18(13-9-16)27(24,25)20-15-4-2-1-3-5-15/h1-13,20-21H |
| InChIK | KHEXMPOOAJRWJM-UHFFFAOYSA-N |
| TotalMolweight | 467.363 |
| Molweight | 467.363 |
| MonoisotopicMass | 465.965659 |
| CLogP | 2.983 |
| CLogS | -5.116 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 291.49 |
| Relative PSA | 0.27473 |
| PolarSurfaceArea | 109.1 |
| Druglikeness | 0.2205 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(4-bromophenyl)sulfonylamino]-N-phenylbenzenesulfonamide | 2 - 4-[(4-bromophenyl)sulfonylamino]-N-phenylbenzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off