72E
Summary
| Name: | 4-(2-methylphenyl)-benzenesulfonamide |
| Synonyms: | 2'-methyl[1,1'-biphenyl]-4-sulfonamide |
| Formula: | C13 H13 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 247.313 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2'-methyl[1,1'-biphenyl]-4-sulfonamide |
| OpenEye OEToolkits | 2.0.5 | 4-(2-methylphenyl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1c(cccc1)c2ccc(S(=O)(=O)N)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H13NO2S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H2,14,15,16) |
| InChIKey | InChI | 1.03 | YPAQIAZVIPIPPM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1c2ccc(cc2)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccccc1c2ccc(cc2)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1ccccc1c2ccc(cc2)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1ccccc1c2ccc(cc2)S(=O)(=O)N |
