Common name
6-chloro-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
IUPAC name
6-chloro-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
SMILES
Clc1ccc2c(c1)NC=NS2(=O)=O
Common name
6-chloro-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
IUPAC name
6-chloro-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
SMILES
Clc1ccc2c(c1)NC=NS2(=O)=O
INCHI
InChI=1S/C7H5ClN2O2S/c8-5-1-2-7-6(3-5)9-4-10-13(7,11)12/h1-4H,(H,9,10)
FORMULA
C7H5ClN2O2S
Common name
6-chloro-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
IUPAC name
6-chloro-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
Molecular weight
216.645
clogP
1.528
clogS
-2.630
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
58.53
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00429 | Benzthiazide |
|
Stimulants; | For the treatment of high blood pressure and management of edema. |
| FDBD00740 | Chlorothiazide |
|
Antihypertensive Agents; Diuretics; Sodium Chloride Symporter Inhibitors; Cardiovascular System; Thiazides, Plain; Low-Ceiling Diuretics, Thiazides; | Chlorothiazide is indicated as adjunctive therapy in edema associated with congestive heart failure, hepatic cirrhosis, and corticosteroid and estrogen therapy. It is also indicated in the management of hypertension either as the sole therapeutic agent or to enhance the effectiveness of other antihypertensive drugs in the more severe forms of hypertension. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hhk_ligand.mol2 | 3hhk | 0.412698 | -9.33 | O=C(N)COc1ccc2c(c1)S(=O)(=O)N=C(N2)c1c(=O)n(c2c(c1O)cccc2)CCC(C)C | 35 |
| 3h98_ligand.mol2 | 3h98 | 0.39924 | -9.15 | CC(C)CCN1C(=O)[C@@H]([C@H](n2ccnc12)O)C1=NS(=O)(=O)c2c(ccc(NS(=O)(=O)C)c2)N1 | 34 |
| 2pov_ligand.mol2 | 2pov | 0.392 | -7.37 | c1c(c(cc(c1S(=O)(=O)N)Cl)N)S(=O)(=O)N | 17 |
| 3igv_ligand.mol2 | 3igv | 0.378182 | -9.83 | O=S(=O)(C)Nc1ccc2c(c1)S(=O)(=O)N=C(N2)C1=C(O)C[C@H](CC)N(C1=O)Cc1ccc(cc1)F | 36 |
| 4n07_ligand_frag_1.mol2 | 4n07 | 0.374194 | -6.85 | N1CNS(=O)(=O)c2c1ccc(F)c2 | 13 |
| 4n07_ligand.mol2 | 4n07 | 0.345029 | -7.38 | C1CC1N1CNS(=O)(=O)c2c1ccc(F)c2 | 17 |
| 3h98_ligand_frag_4.mol2 | 3h98 | 0.337423 | -6.18 | C1=Nc2c(S(=O)(=O)N1)cccc2 | 12 |
| 4b85_ligand_2_0.mol2 | 4b85 | 0.325 | -6.97 | c1(ccc(cc1)Cl)S(=O)(=O)NC | 12 |
102 ,
11
