N'-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)benzenecarboximidamide
Formula:C19H13N2O2BrF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)benzenecarboximidamide is a drug-like molecule.
| MolName | N'-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)benzenecarboximidamide |
| MolecularFormula | C19H13N2O2BrF2S |
| Smiles | O=S(c(cc1)ccc1Br)(/N=C(\c1ccccc1)/Nc(ccc(F)c1)c1F)=O |
| InChI | InChI=1S/C19H13BrF2N2O2S/c20-14-6-9-16(10-7-14)27(25,26)24-19(13-4-2-1-3-5-13)23-18-11-8-15(21)12-17(18)22/h1-12H,(H,23,24) |
| InChIK | PIDXAZPFUJIFHN-UHFFFAOYSA-N |
| TotalMolweight | 451.29 |
| Molweight | 451.29 |
| MonoisotopicMass | 449.984915 |
| CLogP | 4.9365 |
| CLogS | -5.682 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 287.12 |
| Relative PSA | 0.17954 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -1.1022 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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