WGY
N-(4-sulfamoylphenyl)propanamide
Created: | 2020-10-30 |
Last modified: | 2020-11-11 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 27 |
Chiral Atom Count | 0 |
Bond Count | 27 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | N-(4-sulfamoylphenyl)propanamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-(4-sulfamoylphenyl)propanamide |
Formula | C9 H12 N2 O3 S |
Molecular Weight | 228.268 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NS(c1ccc(cc1)NC(=O)CC)(=O)=O |
SMILES | CACTVS | 3.385 | CCC(=O)Nc1ccc(cc1)[S](N)(=O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1ccc(cc1)S(=O)(=O)N |
Canonical SMILES | CACTVS | 3.385 | CCC(=O)Nc1ccc(cc1)[S](N)(=O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1ccc(cc1)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C9H12N2O3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14) |
InChIKey | InChI | 1.03 | KEFCIQSZJXXOLO-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL278395 |
PubChem | 847760 |
ChEMBL | CHEMBL278395 |