IUPAC name
[(4-{4-[(sulfinomethyl)amino]benzenesulfonyl}phenyl)amino]methanesulfinic acid
SMILES
OS(=O)CNC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NCS(O)=O)C=C1
Compound class
Anti-Infective Agents; Sulfonamides;
Therapeutic area
For the treatment of leprosy and dermatitis herpetiformis.
Common name
Sulfoxone
IUPAC name
[(4-{4-[(sulfinomethyl)amino]benzenesulfonyl}phenyl)amino]methanesulfinic acid
SMILES
OS(=O)CNC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NCS(O)=O)C=C1
INCHI
InChI=1S/C14H16N2O6S3/c17-23(18)9-15-11-1-5-13(6-2-11)25(21,22)14-7-3-12(4-8-14)16-10-24(19)20/h1-8,15-16H,9-10H2,(H,17,18)(H,19,20)
FORMULA
C14H16N2O6S3
Common name
Sulfoxone
IUPAC name
[(4-{4-[(sulfinomethyl)amino]benzenesulfonyl}phenyl)amino]methanesulfinic acid
Molecular weight
404.482
clogP
-1.880
clogS
-3.346
HBond Acceptor
6
HBond Donor
4
Total Polar Surface Area
132.8
Number of Rings
2
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00046 | aniline |
|
Nc1ccccc1 | 0.0247 |
| FDBF00049 | N-methylaniline |
|
CNc1ccccc1 | 0.0076 |
| FDBF00279 | (dihydroxy-λ3-sulfanyl)benzene |
|
[S](O)(O)c1ccccc1 | 0.0052 |
| FDBF00283 | BLAH |
|
S(=O)O | 0.0244 |
| FDBF00317 | (dihydroxy-λ3-sulfanyl)methane |
|
C[S](O)O | 0.0141 |
| FDBF02582 | benzenesulfonylbenzene |
|
c1(ccccc1)S(=O)(=O)c2ccccc2 | 0.0003 |
| FDBF02583 | 4-(dihydroxy-λ3-sulfanyl)-N-methyl-aniline |
|
CNc1ccc(cc1)[S](O)O | 0.0003 |
| FDBF02584 | N-[(dihydroxy-λ3-sulfanyl)methyl]aniline |
|
C(Nc1ccccc1)[S](O)O | 0.0003 |
| FDBF02585 | 4-(benzenesulfonyl)-N-methyl-aniline |
|
c1(ccc(cc1)NC)S(=O)(=O)c2ccccc2 | 0.0003 |
10 ,
2
