N-(4-chlorophenyl)-3-nitro-4-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzenesulfonamide
Formula:C27H21N4O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-chlorophenyl)-3-nitro-4-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzenesulfonamide is not a drug-like molecule.
| MolName | N-(4-chlorophenyl)-3-nitro-4-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzenesulfonamide |
| MolecularFormula | C27H21N4O5ClS |
| Smiles | [O-][N+](c(cc(cc1)S(Nc(cc2)ccc2Cl)(=O)=O)c1N/N=C(\C1)/c(cccc2)c2OC1c1ccccc1)=O |
| InChI | InChI=1S/C27H21ClN4O5S/c28-19-10-12-20(13-11-19)31-38(35,36)21-14-15-23(25(16-21)32(33)34)29-30-24-17-27(18-6-2-1-3-7-18)37-26-9-5-4-8-22(24)26/h1-16,27,29,31H,17H2/t27-/m1/s1 |
| InChIK | ISTBTSAMRDNTNB-HHHXNRCGSA-N |
| TotalMolweight | 549.006 |
| Molweight | 549.006 |
| MonoisotopicMass | 548.092118 |
| CLogP | 6.4243 |
| CLogS | -7.266 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 388.86 |
| Relative PSA | 0.26598 |
| PolarSurfaceArea | 133.99 |
| Druglikeness | -1.4356 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-(4-chlorophenyl)-3-nitro-4-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzenesulfonamide | 2 - N-(4-chlorophenyl)-3-nitro-4-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off