Common name
N-methylbenzenesulfonamide
IUPAC name
N-methylbenzenesulfonamide
SMILES
N(C)S(=O)(=O)c1ccccc1
Common name
N-methylbenzenesulfonamide
IUPAC name
N-methylbenzenesulfonamide
SMILES
N(C)S(=O)(=O)c1ccccc1
INCHI
InChI=1S/C7H9NO2S/c1-8-11(9,10)7-5-3-2-4-6-7/h2-6,8H,1H3
FORMULA
C7H9NO2S
Common name
N-methylbenzenesulfonamide
IUPAC name
N-methylbenzenesulfonamide
Molecular weight
171.217
clogP
0.337
clogS
-1.999
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
46.17
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01400 | Udenafil |
|
Genito Urinary System and Sex Hormones; Drugs Used in Erectile Dysfunction; Urological Agents; CYP3A4 Inhibitors; | Investigated for use/treatment in erectile dysfunction and hypertension. |
| FDBD02590 | bensulide |
|
Herbicide | Herbicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3f_ligand_2_0.mol2 | 4m3f | 1 | -7.43 | O=S(=O)(NC)c1ccccc1 | 11 |
| 4m3g_ligand_2_4.mol2 | 4m3g | 1 | -7.41 | CNS(=O)(=O)c1ccccc1 | 11 |
| 2cli_ligand_2_7.mol2 | 2cli | 1 | -7.10 | c1ccc(cc1)S(=O)(=O)NC | 11 |
| 2cll_ligand_2_7.mol2 | 2cll | 1 | -7.09 | CNS(=O)(=O)c1ccccc1 | 11 |
| 2o9i_ligand_2_0.mol2 | 2o9i | 1 | -7.00 | CNS(=O)(=O)c1ccccc1 | 11 |
| 1pqc_ligand_2_0.mol2 | 1pqc | 1 | -6.97 | CNS(=O)(=O)c1ccccc1 | 11 |
| 2jsd_ligand_2_7.mol2 | 2jsd | 1 | -6.95 | c1ccccc1S(=O)(=O)NC | 11 |
| 3d78_ligand_2_0.mol2 | 3d78 | 1 | -6.95 | O=S(=O)(NC)c1ccccc1 | 11 |
| 4dk8_ligand_1_1.mol2 | 4dk8 | 1 | -6.95 | N(S(=O)(=O)c1ccccc1)C | 11 |
| 2jsd_ligand_2_6.mol2 | 2jsd | 1 | -6.92 | c1ccccc1S(=O)(=O)NC | 11 |
215 ,
22
