2-chloro-N-pyridin-4-yl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
Formula:C16H12N3O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-pyridin-4-yl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide is a drug-like molecule.
| MolName | 2-chloro-N-pyridin-4-yl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide |
| MolecularFormula | C16H12N3O2ClS2 |
| Smiles | O=S(c1cccs1)(/N=C(\c(cccc1)c1Cl)/Nc1ccncc1)=O |
| InChI | InChI=1S/C16H12ClN3O2S2/c17-14-5-2-1-4-13(14)16(19-12-7-9-18-10-8-12)20-24(21,22)15-6-3-11-23-15/h1-11H,(H,18,19,20) |
| InChIK | SXRSFAKKHPJJJS-UHFFFAOYSA-N |
| TotalMolweight | 377.875 |
| Molweight | 377.875 |
| MonoisotopicMass | 377.005944 |
| CLogP | 3.6039 |
| CLogS | -4.078 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 265.91 |
| Relative PSA | 0.31168 |
| PolarSurfaceArea | 108.04 |
| Druglikeness | 2.0077 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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