IUPAC name
2-hydroxy-5-[(E)-2-{4-[(pyridin-2-yl)sulfamoyl]phenyl}diazen-1-yl]benzoic acid
SMILES
OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1
Compound class
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;
Therapeutic area
For the treatment of Crohn's disease and rheumatoid arthritis as a second-line agent.
Common name
Sulfasalazine
IUPAC name
2-hydroxy-5-[(E)-2-{4-[(pyridin-2-yl)sulfamoyl]phenyl}diazen-1-yl]benzoic acid
SMILES
OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1
INCHI
InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+
FORMULA
C18H14N4O5S
Common name
Sulfasalazine
IUPAC name
2-hydroxy-5-[(E)-2-{4-[(pyridin-2-yl)sulfamoyl]phenyl}diazen-1-yl]benzoic acid
Molecular weight
398.393
clogP
1.682
clogS
-4.190
HBond Acceptor
8
HBond Donor
3
Total Polar Surface Area
141.31
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00014 | pyridine |
|
c1cccnc1 | 0.0333 |
| FDBF00279 | (dihydroxy-λ3-sulfanyl)benzene |
|
[S](O)(O)c1ccccc1 | 0.0052 |
| FDBF00283 | BLAH |
|
S(=O)O | 0.0244 |
| FDBF01793 | pyridin-2-amine |
|
Nc1ncccc1 | 0.0031 |
| FDBF01806 | phenylhydrazine |
|
N(N)c1ccccc1 | 0.0014 |
| FDBF01807 | N-(2-pyridyl)benzenesulfonamide |
|
S(=O)(=O)(c1ccccc1)Nc2ccccn2 | 0.0003 |
| FDBF01808 | 2-hydroxybenzoic acid |
|
c1cc(c(cc1)O)C(=O)O | 0.0041 |
