3-[[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid
Formula:C20H15N2O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid is a drug-like molecule.
| MolName | 3-[[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid |
| MolecularFormula | C20H15N2O4ClS |
| Smiles | OC(c1cccc(N/C(/c2ccccc2)=N/S(c(cc2)ccc2Cl)(=O)=O)c1)=O |
| InChI | InChI=1S/C20H15ClN2O4S/c21-16-9-11-18(12-10-16)28(26,27)23-19(14-5-2-1-3-6-14)22-17-8-4-7-15(13-17)20(24)25/h1-13H,(H,22,23)(H,24,25) |
| InChIK | XBAYQHXCYUUGBR-UHFFFAOYSA-N |
| TotalMolweight | 414.868 |
| Molweight | 414.868 |
| MonoisotopicMass | 414.044105 |
| CLogP | 3.8027 |
| CLogS | -4.969 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 295.31 |
| Relative PSA | 0.26308 |
| PolarSurfaceArea | 104.21 |
| Druglikeness | 0.075195 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid | 2 - 3-[[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid
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