N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]naphthalene-2-sulfonamide
Formula:C21H17N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]naphthalene-2-sulfonamide is a drug-like molecule.
| MolName | N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]naphthalene-2-sulfonamide |
| MolecularFormula | C21H17N3O2S |
| Smiles | O=S(c1cc2ccccc2cc1)(N/N=C\c1cccn1-c1ccccc1)=O |
| InChI | InChI=1S/C21H17N3O2S/c25-27(26,21-13-12-17-7-4-5-8-18(17)15-21)23-22-16-20-11-6-14-24(20)19-9-2-1-3-10-19/h1-16,23H |
| InChIK | MMXUPWAHEKPSNQ-UHFFFAOYSA-N |
| TotalMolweight | 375.451 |
| Molweight | 375.451 |
| MonoisotopicMass | 375.104147 |
| CLogP | 3.7104 |
| CLogS | -5.859 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 281.38 |
| Relative PSA | 0.20762 |
| PolarSurfaceArea | 71.84 |
| Druglikeness | 2.708 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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