N8U
~{N}-(1~{H}-indazol-5-yl)ethanesulfonamide
Created: | 2022-08-12 |
Last modified: | 2024-09-27 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 26 |
Chiral Atom Count | 0 |
Bond Count | 27 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
---|---|
Name | ~{N}-(1~{H}-indazol-5-yl)ethanesulfonamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-(1~{H}-indazol-5-yl)ethanesulfonamide |
Formula | C9 H11 N3 O2 S |
Molecular Weight | 225.268 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CC[S](=O)(=O)Nc1ccc2[nH]ncc2c1 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)Nc1ccc2c(c1)cn[nH]2 |
Canonical SMILES | CACTVS | 3.385 | CC[S](=O)(=O)Nc1ccc2[nH]ncc2c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)Nc1ccc2c(c1)cn[nH]2 |
InChI | InChI | 1.06 | InChI=1S/C9H11N3O2S/c1-2-15(13,14)12-8-3-4-9-7(5-8)6-10-11-9/h3-6,12H,2H2,1H3,(H,10,11) |
InChIKey | InChI | 1.06 | RCLHSLDLIZMGRM-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 60650264 |