N-(1,3-benzodioxol-5-yl)-2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
Formula:C18H13N2O4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(1,3-benzodioxol-5-yl)-2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide is a drug-like molecule.
| MolName | N-(1,3-benzodioxol-5-yl)-2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide |
| MolecularFormula | C18H13N2O4ClS2 |
| Smiles | O=S(c1cccs1)(/N=C(\c(cccc1)c1Cl)/Nc(cc1)cc2c1OCO2)=O |
| InChI | InChI=1S/C18H13ClN2O4S2/c19-14-5-2-1-4-13(14)18(21-27(22,23)17-6-3-9-26-17)20-12-7-8-15-16(10-12)25-11-24-15/h1-10H,11H2,(H,20,21) |
| InChIK | FNARLMNDUPGZBL-UHFFFAOYSA-N |
| TotalMolweight | 420.896 |
| Molweight | 420.896 |
| MonoisotopicMass | 420.000525 |
| CLogP | 4.7162 |
| CLogS | -5.584 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 287.41 |
| Relative PSA | 0.31979 |
| PolarSurfaceArea | 113.61 |
| Druglikeness | -1.4215 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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