N6U
~{N}-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)ethanesulfonamide
Created: | 2022-08-12 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 26 |
Chiral Atom Count | 0 |
Bond Count | 27 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
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Name | ~{N}-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)ethanesulfonamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)ethanesulfonamide |
Formula | C9 H11 N3 O2 S |
Molecular Weight | 225.268 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CC[S](=O)(=O)Nc1ccnc2[nH]ccc12 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)Nc1ccnc2c1cc[nH]2 |
Canonical SMILES | CACTVS | 3.385 | CC[S](=O)(=O)Nc1ccnc2[nH]ccc12 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)Nc1ccnc2c1cc[nH]2 |
InChI | InChI | 1.06 | InChI=1S/C9H11N3O2S/c1-2-15(13,14)12-8-4-6-11-9-7(8)3-5-10-9/h3-6H,2H2,1H3,(H2,10,11,12) |
InChIKey | InChI | 1.06 | KBQTUGASKMRCFK-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 23515122 |