4-amino-N-[(Z)-[1-(4-sulfamoylphenyl)pyrrol-2-yl]methylideneamino]benzamide
Formula:C18H17N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[(Z)-[1-(4-sulfamoylphenyl)pyrrol-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-amino-N-[(Z)-[1-(4-sulfamoylphenyl)pyrrol-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H17N5O3S |
| Smiles | Nc(cc1)ccc1C(N/N=C\c1cccn1-c(cc1)ccc1S(N)(=O)=O)=O |
| InChI | InChI=1S/C18H17N5O3S/c19-14-5-3-13(4-6-14)18(24)22-21-12-16-2-1-11-23(16)15-7-9-17(10-8-15)27(20,25)26/h1-12H,19H2,(H,22,24)(H2,20,25,26) |
| InChIK | OGCSLPXBNQBXFP-UHFFFAOYSA-N |
| TotalMolweight | 383.431 |
| Molweight | 383.431 |
| MonoisotopicMass | 383.10521 |
| CLogP | 1.5272 |
| CLogS | -6.033 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 281.57 |
| Relative PSA | 0.36225 |
| PolarSurfaceArea | 140.95 |
| Druglikeness | 7.1722 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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