N-[3-{2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy}-1-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl]4-(tert-pentyl)benzenesulfonamide

HCID 9809123

Basic information

Standard SMILES
CCC(C)(C)c1ccc(S(=O)(=O)Nc2c(-c3ccc(C)cc3)c(OCCOc3ncc(Br)cn3)nn2C)cc1
InChIKey
AFKLPFKCNJKOMB-UHFFFAOYSA-N
Molecular formula
C28H32BrN5O4S
Average molar mass
614.6 g/mol

Names & identifiers

Preferred name
N-[3-{2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy}-1-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl]4-(tert-pentyl)benzenesulfonamide
IUPAC
N-[3-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-1-methyl-4-(4-methylphenyl)pyrazol-5-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide

Names & synonyms

SCHEMBL6292823AFKLPFKCNJKOMB-UHFFFAOYSA-NN-[3-{2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy}-1-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl]4-(tert-pentyl)benzenesulfonamideN-[3-{2-[(5bromo-2-pyrimidinyl)oxy]ethoxy}-1-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl]-4-(tert-pentyl)benzenesulfonamide

Database identifiers

PubChem CID
9809123

Properties

Computed structural properties

XLogP
6.6
Topological polar surface area
117 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
11
Heavy atoms
39

Related reactions

3 records

Compound notes

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