JKY
N-[(4-chlorophenyl)methyl]methanesulfonamide
| Created: | 2018-09-11 |
| Last modified: | 2018-10-10 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 23 |
| Chiral Atom Count | 0 |
| Bond Count | 23 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | N-[(4-chlorophenyl)methyl]methanesulfonamide |
| Systematic Name (OpenEye OEToolkits) | ~{N}-[(4-chlorophenyl)methyl]methanesulfonamide |
| Formula | C8 H10 Cl N O2 S |
| Molecular Weight | 219.688 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(ccc(cc1)CNS(C)(=O)=O)Cl |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)NCc1ccc(Cl)cc1 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)NCc1ccc(cc1)Cl |
| Canonical SMILES | CACTVS | 3.385 | C[S](=O)(=O)NCc1ccc(Cl)cc1 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)NCc1ccc(cc1)Cl |
| InChI | InChI | 1.03 | InChI=1S/C8H10ClNO2S/c1-13(11,12)10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3 |
| InChIKey | InChI | 1.03 | CRYRIYLKDDYXOB-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 2800737 |
