2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
Formula:C21H18N2O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid is a drug-like molecule.
| MolName | 2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid |
| MolecularFormula | C21H18N2O6S |
| Smiles | COc(cccc1)c1NS(c1cc(C(Nc(cccc2)c2C(O)=O)=O)ccc1)(=O)=O |
| InChI | InChI=1S/C21H18N2O6S/c1-29-19-12-5-4-11-18(19)23-30(27,28)15-8-6-7-14(13-15)20(24)22-17-10-3-2-9-16(17)21(25)26/h2-13,23H,1H3,(H,22,24)(H,25,26) |
| InChIK | VASPSJMCMOPMGN-UHFFFAOYSA-N |
| TotalMolweight | 426.448 |
| Molweight | 426.448 |
| MonoisotopicMass | 426.088558 |
| CLogP | 2.5213 |
| CLogS | -4.492 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 308.39 |
| Relative PSA | 0.32647 |
| PolarSurfaceArea | 130.18 |
| Druglikeness | -1.8203 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid | 2 - 2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
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