Common name
1-(benzenesulfonyl)-3-methylbenzene
IUPAC name
1-(benzenesulfonyl)-3-methylbenzene
SMILES
S(=O)(=O)(c1cccc(C)c1)c1ccccc1
Common name
1-(benzenesulfonyl)-3-methylbenzene
IUPAC name
1-(benzenesulfonyl)-3-methylbenzene
SMILES
S(=O)(=O)(c1cccc(C)c1)c1ccccc1
INCHI
InChI=1S/C13H12O2S/c1-11-6-5-9-13(10-11)16(14,15)12-7-3-2-4-8-12/h2-10H,1H3
FORMULA
C13H12O2S
Common name
1-(benzenesulfonyl)-3-methylbenzene
IUPAC name
1-(benzenesulfonyl)-3-methylbenzene
Molecular weight
232.298
clogP
2.794
clogS
-3.872
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
34.14
Number of Rings
2
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02431 | perfluidone |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m6q_ligand_3_36.mol2 | 4m6q | 0.809524 | -7.80 | c1(ccc(cc1)C)S(=O)(=O)c1ccccc1 | 16 |
| 4m6p_ligand_3_0.mol2 | 4m6p | 0.809524 | -7.79 | Cc1ccc(cc1)S(=O)(=O)c1ccccc1 | 16 |
| 4lts_ligand_3_0.mol2 | 4lts | 0.809524 | -7.78 | S(=O)(=O)(c1ccc(cc1)C)c1ccccc1 | 16 |
| 4o13_ligand_3_10.mol2 | 4o13 | 0.809524 | -7.74 | Cc1ccc(cc1)S(=O)(=O)c1ccccc1 | 16 |
| 4o15_ligand_3_10.mol2 | 4o15 | 0.809524 | -7.73 | S(=O)(=O)(c1ccccc1)c1ccc(C)cc1 | 16 |
| 4lww_ligand_3_0.mol2 | 4lww | 0.809524 | -7.71 | Cc1ccc(S(=O)(=O)c2ccccc2)cc1 | 16 |
| 4m6q_ligand_2_9.mol2 | 4m6q | 0.717949 | -7.50 | c1(ccccc1)S(=O)(=O)c1ccccc1 | 15 |
| 4lts_ligand_2_0.mol2 | 4lts | 0.717949 | -7.49 | S(=O)(=O)(c1ccccc1)c1ccccc1 | 15 |
100 ,
11
