Common name
1-(dimethylsulfamoylamino)-4-methylbenzene
IUPAC name
1-(dimethylsulfamoylamino)-4-methylbenzene
SMILES
N(C)(C)S(=O)(=O)Nc1ccc(C)cc1
Common name
1-(dimethylsulfamoylamino)-4-methylbenzene
IUPAC name
1-(dimethylsulfamoylamino)-4-methylbenzene
SMILES
N(C)(C)S(=O)(=O)Nc1ccc(C)cc1
INCHI
InChI=1S/C9H14N2O2S/c1-8-4-6-9(7-5-8)10-14(12,13)11(2)3/h4-7,10H,1-3H3
FORMULA
C9H14N2O2S
Common name
1-(dimethylsulfamoylamino)-4-methylbenzene
IUPAC name
1-(dimethylsulfamoylamino)-4-methylbenzene
Molecular weight
214.285
clogP
-0.063
clogS
-2.274
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
49.41
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02962 | tolylfluanid |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mk8_ligand_2_20.mol2 | 4mk8 | 0.644444 | -6.63 | Cc1ccc(cc1)NS(=O)(=O)C | 12 |
| 2o5k_ligand_2_14.mol2 | 2o5k | 0.644444 | -6.06 | c1(ccc(cc1)NS(=O)(=O)C)C | 12 |
| 5bml_ligand_2_0.mol2 | 5bml | 0.604167 | -6.57 | Cc1cccc(NS(=O)(=O)C)c1 | 12 |
| 4xv3_ligand_1_3.mol2 | 4xv3 | 0.6 | -7.10 | c1cccc(c1F)NS(=O)(=O)NC | 13 |
| 4ymq_ligand_frag_0.mol2 | 4ymq | 0.588235 | -6.86 | N1c2c(cccc2)NS1(=O)=O | 11 |
| 3exo_ligand_1_1.mol2 | 3exo | 0.583333 | -6.94 | N(S(=O)(=O)C)c1c(cccc1)C | 12 |
| 1w0y_ligand_2_15.mol2 | 1w0y | 0.583333 | -5.90 | c1(c(cccc1)NS(=O)(=O)C)C | 12 |
| 4mk8_ligand_3_34.mol2 | 4mk8 | 0.568627 | -6.75 | CCc1ccc(cc1)NS(=O)(=O)C | 13 |
| 2o5k_ligand_3_19.mol2 | 2o5k | 0.568627 | -6.23 | CCc1ccc(cc1)NS(=O)(=O)C | 13 |
| 2ph6_ligand_2_22.mol2 | 2ph6 | 0.566038 | -6.57 | Cc1cccc(c1)N(S(=O)(=O)C)C | 13 |
101 ,
11
