General Information of the Compound
Compound ID
CP0314133
Compound Name
N-methyl-N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]benzenesulfonamide
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Structure
Formula
C15H14F3NO3S
Molecular Weight
345.342
Canonical SMILES
CN(c1ccc(cc1)C(O)C(F)(F)F)S(=O)(=O)c1ccccc1
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InChI
InChI=1S/C15H14F3NO3S/c1-19(23(21,22)13-5-3-2-4-6-13)12-9-7-11(8-10-12)14(20)15(16,17)18/h2-10,14,20H,1H3
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InChIKey
UJIROJYBEYJMTN-UHFFFAOYSA-N
Physicochemical Property
logP
3.1074
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
57.61
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 44409123
ChEMBL ID
CHEMBL203454
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 5000 nM
   TI
   LI
   LO
   TS