D9Z
Summary
Name: | 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide |
Formula: | C8 H6 Cl N3 O2 S2 |
Formal charge: | 0 |
Formula weight: | 275.735 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide |
OpenEye OEToolkits | 1.5.0 | 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c1nnc(s1)c2c(Cl)cccc2)N |
SMILES_CANONICAL | CACTVS | 3.341 | N[S](=O)(=O)c1sc(nn1)c2ccccc2Cl |
SMILES | CACTVS | 3.341 | N[S](=O)(=O)c1sc(nn1)c2ccccc2Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2nnc(s2)S(=O)(=O)N)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2nnc(s2)S(=O)(=O)N)Cl |
InChI | InChI | 1.03 | InChI=1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14) |
InChIKey | InChI | 1.03 | PZVGOWIIHCUHAO-UHFFFAOYSA-N |