3,5-dichloro-N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide

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Basic information

CAS: 957041-52-0
Standard SMILES: COc1ccc(N(Cc2c(C(F)(F)F)nn(C)c2Cl)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIKey: NDFLMWHAXIBFPF-UHFFFAOYSA-N
Molecular formula: C19H15Cl3F3N3O3S
Average molar mass: 528.8 g/mol

Names & identifiers

Preferred name: 3,5-dichloro-N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide
IUPAC: 3,5-dichloro-N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide
English name: 3,5-Dichloro-N-([5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl)-N-(4-methoxyphenyl)benzenesulfonamide
Molecular formula: C19H15Cl3F3N3O3S
Molecular weight: 528.76

Names & synonyms

957041-52-03,5-dichloro-N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide3,5-dichloro-N-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-N-(4-methoxyphenyl)benzene-1-sulfonamide3,5-dichloro-N-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-N-(4-methoxyphenyl)benzenesulfonamideAKOS0051045939R-11503,5-Dichloro-N-([5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl)-N-(4-methoxyphenyl)benzenesulfonamideBenzenesulfonamide, 3,5-dichloro-N-[[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-N-(4-methoxyphenyl)-

Database identifiers

CAS: 957041-52-0

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 72.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 32
Formal charge: 0
Complexity: 725

Physicochemical properties

Boiling point: 608.9 · 608.9±65.0 °C(Predicted)
Density: 1.52 · 1.52±0.1 g/cm3(Predicted)
pka: -2.62 · -2.62±0.10(Predicted)

Related reactions

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Compound notes

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