General Information of the Compound
| Compound ID |
CP0434516
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-chloro-N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H9ClN2O4S
|
||||||||||||||||||
| Molecular Weight |
336.756
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H9ClN2O4S/c15-9-3-1-2-8(6-9)13(18)16-10-4-5-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WJSNUMIOITZHKE-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||