4-bromo-N-[(E)-(1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]benzenesulfonamide
Formula:C15H13N2O4BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(E)-(1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-bromo-N-[(E)-(1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]benzenesulfonamide |
| MolecularFormula | C15H13N2O4BrS2 |
| Smiles | O=S(c(cc1)ccc1Br)(N/N=C(\CC1)/c(cccc2)c2S1(=O)=O)=O |
| InChI | InChI=1S/C15H13BrN2O4S2/c16-11-5-7-12(8-6-11)24(21,22)18-17-14-9-10-23(19,20)15-4-2-1-3-13(14)15/h1-8,18H,9-10H2 |
| InChIK | RBTDUYXPKJFQCA-UHFFFAOYSA-N |
| TotalMolweight | 429.314 |
| Molweight | 429.314 |
| MonoisotopicMass | 427.950009 |
| CLogP | 1.8739 |
| CLogS | -3.575 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 257.26 |
| Relative PSA | 0.31147 |
| PolarSurfaceArea | 109.43 |
| Druglikeness | -2.6917 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 4-bromo-N-[(E)-(1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]benzenesulfonamide | 2 - 4-bromo-N-[(E)-(1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]benzenesulfonamide
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