3,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
Formula:C17H13N3O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide is a drug-like molecule.
| MolName | 3,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide |
| MolecularFormula | C17H13N3O4Cl2S |
| Smiles | Cc1cc(NS(c(cc2)ccc2NC(c(cc2)cc(Cl)c2Cl)=O)(=O)=O)no1 |
| InChI | InChI=1S/C17H13Cl2N3O4S/c1-10-8-16(21-26-10)22-27(24,25)13-5-3-12(4-6-13)20-17(23)11-2-7-14(18)15(19)9-11/h2-9H,1H3,(H,20,23)(H,21,22) |
| InChIK | DRRCQQFLVIBMJI-UHFFFAOYSA-N |
| TotalMolweight | 426.279 |
| Molweight | 426.279 |
| MonoisotopicMass | 425.000381 |
| CLogP | 3.4778 |
| CLogS | -5.923 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 293.58 |
| Relative PSA | 0.30527 |
| PolarSurfaceArea | 109.68 |
| Druglikeness | 3.8927 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide | 2 - 3,4-dichloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
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