A1IBQ
~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide
Created: | 2024-05-14 |
Last modified: | 2024-07-03 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 35 |
Chiral Atom Count | 1 |
Bond Count | 36 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide |
Formula | C14 H14 F2 N2 O2 S |
Molecular Weight | 312.335 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | N[CH](CN[S](=O)(=O)c1cc(F)cc(F)c1)c2ccccc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(CNS(=O)(=O)c2cc(cc(c2)F)F)N |
Canonical SMILES | CACTVS | 3.385 | N[C@H](CN[S](=O)(=O)c1cc(F)cc(F)c1)c2ccccc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@@H](CNS(=O)(=O)c2cc(cc(c2)F)F)N |
InChI | InChI | 1.06 | InChI=1S/C14H14F2N2O2S/c15-11-6-12(16)8-13(7-11)21(19,20)18-9-14(17)10-4-2-1-3-5-10/h1-8,14,18H,9,17H2/t14-/m1/s1 |
InChIKey | InChI | 1.06 | FPOUFZSSRLIPGZ-CQSZACIVSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 171714590 |