Common name
N-phenylmethanesulfonamide
IUPAC name
N-phenylmethanesulfonamide
SMILES
c1ccc(cc1)NS(=O)(=O)C
Common name
N-phenylmethanesulfonamide
IUPAC name
N-phenylmethanesulfonamide
SMILES
c1ccc(cc1)NS(=O)(=O)C
INCHI
InChI=1S/C7H9NO2S/c1-11(9,10)8-7-5-3-2-4-6-7/h2-6,8H,1H3
FORMULA
C7H9NO2S
Common name
N-phenylmethanesulfonamide
IUPAC name
N-phenylmethanesulfonamide
Molecular weight
171.217
clogP
0.337
clogS
-1.999
Frequency
0.0017
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 |
|---|---|---|---|---|
| FDBD00092 | Dofetilide |
|
Anti-Arrhythmia Agents; Potassium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class III; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; CYP3A4 Inhibitors; | For the maintenance of normal sinus rhythm (delay in time to recurrence of atrial fibrillation/atrial flutter [AF/AFl]) in patients with atrial fibrillation/atrial flutter of greater than one week duration who have been converted to normal sinus rhythm. |
| FDBD00163 | Amsacrine |
|
Antineoplastic Agents; Immunosuppressive Agents; Intercalating Agents; Antineoplastic and Immunomodulating Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For treatment of acute myeloid leukaemia. |
| FDBD00195 | Ibutilide |
|
Anti-Arrhythmia Agents; Cardiovascular System; Antiarrhythmics, Class III; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; | Indicated for the rapid conversion of atrial fibrillation or atrial flutter of recent onset to sinus rhythm. |
| FDBD00362 | Sotalol |
|
Sympatholytics; Anti-Arrhythmia Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents and Thiazides; Beta Blocking Agents, Non-Selective; Beta Blocking Agents, Non-Selective, and Thiazides; | For the maintenance of normal sinus rhythm [delay in time to recurrence of atrial fibrillation/atrial flutter (AFIB/AFL)] in patients with symptomatic AFIB/AFL who are currently in sinus rhythm. Also for the treatment of documented life-threatening ventricular arrhythmias. |
| FDBD02425 | benzofluor |
|
Herbicide | Herbicide |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lsj_ligand_1_2.mol2 | 4lsj | 1 | -6.96 | N(S(=O)(=O)C)c1ccccc1 | 11 |
| 4mk8_ligand_1_6.mol2 | 4mk8 | 1 | -6.47 | c1ccc(cc1)NS(=O)(=O)C | 11 |
| 4hxs_ligand_2_3.mol2 | 4hxs | 1 | -6.42 | c1(ccccc1)NS(=O)(=O)C | 11 |
| 5bml_ligand_1_0.mol2 | 5bml | 1 | -6.42 | CS(=O)(=O)Nc1ccccc1 | 11 |
| 4dfl_ligand_1_1.mol2 | 4dfl | 1 | -6.41 | c1cc(ccc1)NS(=O)(=O)C | 11 |
| 2vwz_ligand_1_4.mol2 | 2vwz | 1 | -6.38 | c1(ccccc1)NS(=O)(=O)C | 11 |
| 4uns_ligand_1_1.mol2 | 4uns | 1 | -6.36 | c1cc(ccc1)NS(=O)(=O)C | 11 |
| 3ctq_ligand_1_3.mol2 | 3ctq | 1 | -6.32 | c1cc(ccc1)NS(=O)(=O)C | 11 |
| 2xfk_ligand_1_2.mol2 | 2xfk | 1 | -6.24 | N(S(=O)(=O)C)c1ccccc1 | 11 |
| 2xfi_ligand_1_8.mol2 | 2xfi | 1 | -6.23 | c1cccc(c1)NS(=O)(=O)C | 11 |
103 ,
11
