Common name
N-(dihydroxy-λ3-sulfanyl)-2-fluoro-N-methylaniline
IUPAC name
N-(dihydroxy-λ3-sulfanyl)-2-fluoro-N-methylaniline
SMILES
c1(c(cccc1)F)N(C)[S](O)O
Common name
N-(dihydroxy-λ3-sulfanyl)-2-fluoro-N-methylaniline
IUPAC name
N-(dihydroxy-λ3-sulfanyl)-2-fluoro-N-methylaniline
SMILES
c1(c(cccc1)F)N(C)[S](O)O
INCHI
InChI=1S/C7H9FNO2S/c1-9(12(10)11)7-5-3-2-4-6(7)8/h2-5,10-11H,1H3
FORMULA
C7H9FNO2S
Common name
N-(dihydroxy-λ3-sulfanyl)-2-fluoro-N-methylaniline
IUPAC name
N-(dihydroxy-λ3-sulfanyl)-2-fluoro-N-methylaniline
Molecular weight
190.215
clogP
-1.084
clogS
-0.761
Frequency
0.0003
HBond Acceptor
3
HBond Donor
2
Total PolarSurface Area
43.7
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02402 | triafamone |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4xv2_ligand_1_3.mol2 | 4xv2 | 0.864865 | -6.77 | N([S](O)O)c1c(cccc1)F | 11 |
| 4cqe_ligand_1_1.mol2 | 4cqe | 0.864865 | -6.73 | [S](O)(O)Nc1c(F)cccc1 | 11 |
| 4ehg_ligand_1_4.mol2 | 4ehg | 0.780488 | -6.82 | c1c(c(ccc1F)N[S](O)O)F | 12 |
| 4xv9_ligand_1_2.mol2 | 4xv9 | 0.780488 | -6.77 | c1(c(F)cc(cc1)F)N[S](O)O | 12 |
| 4pp7_ligand_1_2.mol2 | 4pp7 | 0.780488 | -6.75 | N([S](O)O)c1c(cc(cc1)F)F | 12 |
| 4e4x_ligand_1_2.mol2 | 4e4x | 0.780488 | -6.73 | c1c(c(ccc1F)N[S](O)O)F | 12 |
| 4ehe_ligand_1_1.mol2 | 4ehe | 0.780488 | -6.70 | c1c(c(ccc1F)N[S](O)O)F | 12 |
105 ,
11
