(NE)-5-chloro-N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide
Formula:C13H15N2O3ClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-5-chloro-N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide is a drug-like molecule.
| MolName | (NE)-5-chloro-N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide |
| MolecularFormula | C13H15N2O3ClS3 |
| Smiles | O=C(CS1)N(C2CCCCC2)/C1=N\S(c(s1)ccc1Cl)(=O)=O |
| InChI | InChI=1S/C13H15ClN2O3S3/c14-10-6-7-12(21-10)22(18,19)15-13-16(11(17)8-20-13)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2 |
| InChIK | HJDKUXAZKBGWET-UHFFFAOYSA-N |
| TotalMolweight | 378.924 |
| Molweight | 378.924 |
| MonoisotopicMass | 377.99333 |
| CLogP | 3.187 |
| CLogS | -4.293 |
| H Acceptors | 5 |
| TotalSurfaceArea | 249.77 |
| Relative PSA | 0.37847 |
| PolarSurfaceArea | 128.73 |
| Druglikeness | -1.9262 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (NE)-5-chloro-N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide | 2 - (NE)-5-chloro-N-(3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide
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