Compound Summary
cyclothiazide
Compound Information
cyclothiazide
Compound Name: | cyclothiazide |
Compound CID: | 2910 |
Synonyms: | cyclothiazide |
Iupac Name: | 3-(2-bicyclo[2.2.1]hept-5-enyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide |
InChI: | InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20) |
InChIKey: | BOCUKUHCLICSIY-UHFFFAOYSA-N |
Canonical Smiles: | C1C2CC(C1C=C2)C3NC4=CC(=C(C=C4S(=O)(=O)N3)S(=O)(=O)N)Cl |
Isomeric Smiles: | C1C2CC(C1C=C2)C3NC4=CC(=C(C=C4S(=O)(=O)N3)S(=O)(=O)N)Cl |
Molecular Weight: | 389.9 |
Molecular Formula: | C14H16ClN3O4S2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
cyclothiazide
Molecular Weight: | 389.9 |
Molecular Formula: | C14H16ClN3O4S2 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 24 |
Complexity: | 758 |
Synonyms
cyclothiazide
Experimental Data
cyclothiazide
Experimental Data Visualization
cyclothiazide
Statistics Data
cyclothiazide
Statistics Data Visualization
cyclothiazide
