IUPAC name
3-[(benzylsulfanyl)methyl]-6-chloro-1,1-dioxo-4H-1λ
SMILES
NS(=O)(=O)C1=C(Cl)C=C2NC(CSCC3=CC=CC=C3)=NS(=O)(=O)C2=C1
Compound class
Stimulants;
Therapeutic area
For the treatment of high blood pressure and management of edema.
Common name
Benzthiazide
IUPAC name
3-[(benzylsulfanyl)methyl]-6-chloro-1,1-dioxo-4H-1λ
SMILES
NS(=O)(=O)C1=C(Cl)C=C2NC(CSCC3=CC=CC=C3)=NS(=O)(=O)C2=C1
INCHI
InChI=1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)
FORMULA
C15H14ClN3O4S3
Common name
Benzthiazide
IUPAC name
3-[(benzylsulfanyl)methyl]-6-chloro-1,1-dioxo-4H-1λ
Molecular weight
431.937
clogP
1.890
clogS
-5.133
HBond Acceptor
4
HBond Donor
3
Total Polar Surface Area
143.99
Number of Rings
3
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00052 | methylsulfanylmethane |
|
S(C)C | 0.0072 |
| FDBF01018 | phenylmethanethiol |
|
SCc1ccccc1 | 0.0034 |
| FDBF01023 | methylsulfanylmethylbenzene |
|
CSCc1ccccc1 | 0.0010 |
| FDBF01277 | 6-chloro-3-methyl-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide |
|
Clc1ccc2c(c1)NC(=NS2(=O)=O)C | 0.0003 |
| FDBF01278 | 6-chloro-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide |
|
Clc1ccc2c(c1)NC=NS2(=O)=O | 0.0007 |
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