General Information of the Compound
Compound ID
CP0510061
Compound Name
N-(benzenesulfonyl)-4-(trifluoromethyl)benzamide
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Structure
Formula
C14H10F3NO3S
Molecular Weight
329.299
Canonical SMILES
FC(F)(F)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1
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InChI
InChI=1S/C14H10F3NO3S/c15-14(16,17)11-8-6-10(7-9-11)13(19)18-22(20,21)12-4-2-1-3-5-12/h1-9H,(H,18,19)
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InChIKey
DLQRVSFCDQUPNF-UHFFFAOYSA-N
Physicochemical Property
logP
2.8241
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
63.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 44437635
ChEMBL ID
CHEMBL391616
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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 100000 nM
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