N-[(Z)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]naphthalene-2-sulfonamide
Formula:C21H14N4O3ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]naphthalene-2-sulfonamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]naphthalene-2-sulfonamide |
| MolecularFormula | C21H14N4O3ClFS |
| Smiles | O=S(c1cc2ccccc2cc1)(N/N=C\c1cccc(Oc(nc(nc2)Cl)c2F)c1)=O |
| InChI | InChI=1S/C21H14ClFN4O3S/c22-21-24-13-19(23)20(26-21)30-17-7-3-4-14(10-17)12-25-27-31(28,29)18-9-8-15-5-1-2-6-16(15)11-18/h1-13,27H |
| InChIK | OCWMUFPDJFXVLC-UHFFFAOYSA-N |
| TotalMolweight | 456.884 |
| Molweight | 456.884 |
| MonoisotopicMass | 456.045916 |
| CLogP | 4.6042 |
| CLogS | -6.159 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 321.47 |
| Relative PSA | 0.25971 |
| PolarSurfaceArea | 101.92 |
| Druglikeness | -0.9135 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]naphthalene-2-sulfonamide | 2 - N-[(Z)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]naphthalene-2-sulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off