3-({4-[(5-Chloro-1,3-Benzodioxol-4-Yl)Amino]-2-Pyrimidinyl}Amino)Benzenesulfonamide
Properties
| Property | Value |
|---|---|
| Formula | C17H14ClN5O4S |
| IUPAC Name | 3-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide |
| Molecular Mass | 419.842 g·mol−1 |
| Heat of Formation | -229.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.32 ± 1.08 D |
| Volume | 427.95 Å 3 |
| Surface Area | 386.72 Å 2 |
| HOMO Energy | -8.81 ± 0.55 eV |
| LUMO Energy | -0.94 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | TZHCXOMEOHEZDX-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N S |