Structure

InChI Key NDDAHWYSQHTHNT-UHFFFAOYSA-N
Smile CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChI
InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H16ClN3O3S
Molecular Weight 365.84
AlogP 2.08
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 92.5
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Thiazide-sensitive sodium-chloride cotransporter inhibitor ISBN Wikipedia Wikipedia FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials
Kidney Calculi 2 D007669 ClinicalTrials

Related Entries

Scaffolds

Side Effects from Label

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Metabolism and nutrition disorders
13.85
Nervous system disorders
13.24
General disorders and administration site conditions
10.55
Cardiac disorders
8.15
Psychiatric disorders
6.62
Vascular disorders
6.62
Gastrointestinal disorders
6.39
Skin and subcutaneous tissue disorders
5.55
Investigations
4.63
Respiratory, thoracic and mediastinal disorders
4.4
Musculoskeletal and connective tissue disorders
3.93
Renal and urinary disorders
3.77
Injury, poisoning and procedural complications
3.29
Immune system disorders
2.26

Cross References

Resources Reference
CAS NUMBER 26807-65-8
ChEBI 5893
ChEMBL CHEMBL406
DrugBank DB00808
DrugCentral 1433
EPA CompTox DTXSID7044633
FDA SRS F089I0511L
Human Metabolome Database HMDB0014946
Guide to Pharmacology 7203
KEGG D00345
PDB BL1
PharmGKB PA449975
PubChem 3702
SureChEMBL SCHEMBL41303
ZINC ZINC00643114