AC1MRIML
4-chloro-N-[1-(4-methoxyphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
Also Known As: 4-chloro-N-(1-(4-methoxyphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide|4-Chloro-N-[1-(4-methoxy-phenyl)-2,4,6-trioxo-5-trifluoromethyl-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d] pyrimidin-5-yl]-benzenesulfonamide|4-CHLORO-N-[1-(4-METHOXYPHENYL)-2,4,6-TRIOXO-5-(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL]BENZENE-1-SULFONAMIDE|4-chloro-N-[1-(4-methoxyphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide|4-chloro-N-[4-hydroxy-1-(4-methoxyphenyl)-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
| Molecular Formula | C20H14ClF3N4O6S |
|---|---|
| Molecular Weight | 530.02747 g/mol |
| LogP | 1.876 |
| Topological Polar Surface Area | 139.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 530.02747 |
| Monoisotopic Mass | 530.02747 |
| Heavy Atoms | 35 |
| Complexity | 1550.1449 |
Chemical Identifiers
| CAS Number | 579443-75-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NS(=O)(=O)C4=CC=C(C=C4)Cl |
Product Overview
AC1MRIML (CAS 579443-75-7), with molecular formula C20H14ClF3N4O6S and molecular weight 530.02747 g/mol. IUPAC: 4-chloro-N-[1-(4-methoxyphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide.
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