Common name
N-(2-pyridyl)benzenesulfonamide
IUPAC name
N-(2-pyridyl)benzenesulfonamide
SMILES
S(=O)(=O)(c1ccccc1)Nc2ccccn2
Common name
N-(2-pyridyl)benzenesulfonamide
IUPAC name
N-(2-pyridyl)benzenesulfonamide
SMILES
S(=O)(=O)(c1ccccc1)Nc2ccccn2
INCHI
InChI=1S/C11H10N2O2S/c14-16(15,10-6-2-1-3-7-10)13-11-8-4-5-9-12-11/h1-9H,(H,12,13)
FORMULA
C11H10N2O2S
Common name
N-(2-pyridyl)benzenesulfonamide
IUPAC name
N-(2-pyridyl)benzenesulfonamide
Molecular weight
234.274
clogP
0.979
clogS
-3.164
Frequency
0.0003
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
59.06
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00657 | Sulfasalazine |
|
Antirheumatic Agents; Anti-Inflammatory Agents, Non-Steroidal; Gastrointestinal Agents; Anti-Infective Agents; Sulfonamides; Alimentary Tract and Metabolism; Aminosalicylic Acid and Similar Agents; Intestinal Antiinflammatory Agents; Antidiarrheals, Intestinal Anti-Inflammatory/antiinfective Agents; | For the treatment of Crohn's disease and rheumatoid arthritis as a second-line agent. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1fvv_ligand_2_9.mol2 | 1fvv | 1 | -7.01 | c1ccnc(c1)NS(=O)(=O)c1ccccc1 | 16 |
| 13gs_ligand_2_0.mol2 | 13gs | 1 | -6.92 | c1(ccccc1)S(=O)(=O)Nc1ccccn1 | 16 |
| 4nuc_ligand_2_5.mol2 | 4nuc | 1 | -6.49 | c1(ncccc1)NS(=O)(=O)c1ccccc1 | 16 |
| 4nue_ligand_2_0.mol2 | 4nue | 1 | -6.43 | c1ccc(nc1)NS(=O)(=O)c1ccccc1 | 16 |
| 4nud_ligand_2_5.mol2 | 4nud | 1 | -6.02 | c1(ncccc1)NS(=O)(=O)c1ccccc1 | 16 |
| 3cen_ligand_2_3.mol2 | 3cen | 0.821429 | -7.45 | c1cc(ccc1)S(=O)(=O)Nc1ccc(cn1)Cl | 17 |
| 4jyt_ligand_2_0.mol2 | 4jyt | 0.658537 | -7.90 | c1(ccc2ccccc2c1)S(=O)(=O)Nc1cnccc1 | 20 |
| 4nuc_ligand.mol2 | 4nuc | 0.657143 | -8.58 | c1(cc(cc(c1O)C)/N=N/c1ccc(cc1)S(=O)(=O)Nc1ncccc1)C | 28 |
282 ,
29
