[4-(4-Cyclopropanesulfonyl-2-fluoro-phenyl)-piperazin-1-yl]-(4-methanesulfonyl-biphenyl-2-yl)-methanone

HCID 59853643
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Basic information

Standard SMILES
CS(=O)(=O)c1ccc(-c2ccccc2)c(C(=O)N2CCN(c3ccc(S(=O)(=O)C4CC4)cc3F)CC2)c1
InChIKey
AJBHXZQRVREGRC-UHFFFAOYSA-N
Molecular formula
C27H27FN2O5S2
Average molar mass
542.6 g/mol
Monoisotopic mass
542.13454248

Names & identifiers

Preferred name
[4-(4-Cyclopropanesulfonyl-2-fluoro-phenyl)-piperazin-1-yl]-(4-methanesulfonyl-biphenyl-2-yl)-methanone
IUPAC
[4-(4-cyclopropylsulfonyl-2-fluorophenyl)piperazin-1-yl]-(5-methylsulfonyl-2-phenylphenyl)methanone

Names & synonyms

SCHEMBL4435479AJBHXZQRVREGRC-UHFFFAOYSA-N[4-(4-Cyclopropanesulfonyl-2-fluoro-phenyl)-piperazin-1-yl]-(4-methanesulfonyl-biphenyl-2-yl)-methanone

Database identifiers

PubChem CID
59853643

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
109 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
37

Related reactions

2 records
New reaction record

Compound notes

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