IUPAC name
2,4-dinitro-1-(pentylsulfonyl)benzene
SMILES
CCCCCS(=O)(=O)c1ccc(cc1N(=O)=O)N(=O)=O
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
sultropen
IUPAC name
2,4-dinitro-1-(pentylsulfonyl)benzene
SMILES
CCCCCS(=O)(=O)c1ccc(cc1N(=O)=O)N(=O)=O
INCHI
InChI=1S/C11H14N2O6S/c1-2-3-4-7-20(18,19)11-6-5-9(12(14)15)8-10(11)13(16)17/h5-6,8H,2-4,7H2,1H3
FORMULA
C11H14N2O6S
Common name
sultropen
IUPAC name
2,4-dinitro-1-(pentylsulfonyl)benzene
Molecular weight
302.304
clogP
-0.842
clogS
-3.582
HBond Acceptor
8
HBond Donor
0
Total Polar Surface Area
102.42
Number of Rings
1
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00081 | pentane |
|
CCCCC | 0.0316 |
| FDBF00283 | BLAH |
|
S(=O)O | 0.0244 |
| FDBF00317 | (dihydroxy-λ3-sulfanyl)methane |
|
C[S](O)O | 0.0141 |
| FDBF00322 | (dihydroxy-λ3-sulfanyl)ethane |
|
C(C)[S](O)O | 0.0055 |
| FDBF00325 | 1-(dihydroxy-λ3-sulfanyl)propane |
|
C(CC)[S](O)O | 0.0010 |
7 ,
1
