General Information of the Compound
Compound ID
CP0404306
Compound Name
N-[4-(dimethylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
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Structure
Formula
C16H15F3N2O3S
Molecular Weight
372.368
Canonical SMILES
CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1
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InChI
InChI=1S/C16H15F3N2O3S/c1-21(2)25(23,24)14-9-7-13(8-10-14)20-15(22)11-3-5-12(6-4-11)16(17,18)19/h3-10H,1-2H3,(H,20,22)
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InChIKey
PHJSLRWVEGAQCS-UHFFFAOYSA-N
Physicochemical Property
logP
3.208
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
66.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 2124297
ChEMBL ID
CHEMBL3613633
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: PT03081, Transient receptor potential cation channel subfamily V member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 4220 nM
   TI
   LI
   LO
   TS
Protein ID: PT04567, Transient receptor potential cation channel subfamily V member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 5740 nM
   TI
   LI
   LO
   TS