AC1MRIML structure

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

CAS: 579443-75-7
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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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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