IUPAC name
3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ
SMILES
NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F
Compound class
Antihypertensive Agents; Diuretics; Sodium Chloride Symporter Inhibitors; Cardiovascular System; Thiazides, Plain; Low-Ceiling Diuretics, Thiazides; Low-Ceiling Diuretics and Potassium-Sparing Agents;
Therapeutic area
For the treatment of high blood pressure and management of edema related to heart failure.
Common name
Bendroflumethiazide
IUPAC name
3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ
SMILES
NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F
INCHI
InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)
FORMULA
C15H14F3N3O4S2
Common name
Bendroflumethiazide
IUPAC name
3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ
Molecular weight
421.415
clogP
0.777
clogS
-4.685
HBond Acceptor
4
HBond Donor
4
Total Polar Surface Area
118.36
Number of Rings
3
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00952 | (3R)-3-methyl-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide |
|
CC1NS(=O)(=O)c2c(cccc2)N1 | 0.0003 |
| FDBF00953 | 6-(trifluoromethyl)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide |
|
FC(F)(F)c1ccc2c(c1)NCNS2(=O)=O | 0.0007 |
| FDBF00954 | (3R)-3-benzyl-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide |
|
c1(ccccc1)CC2NS(=O)(=O)c3c(cccc3)N2 | 0.0003 |
| FDBF00955 | (3R)-3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide |
|
CC1NS(=O)(=O)c2c(cc(cc2)C(F)(F)F)N1 | 0.0003 |
| FDBF00956 | 3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide |
|
S1(=O)(=O)NCNc2c1cccc2 | 0.0007 |
