General Information of the Compound
Compound ID
CP0416524
Compound Name
2-chloro-N-(cyclopropylmethyl)-N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
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Structure
Formula
C19H19ClF3NO3S
Molecular Weight
433.879
Canonical SMILES
CC(O)(c1ccc(cc1)N(CC1CC1)S(=O)(=O)c1ccccc1Cl)C(F)(F)F
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InChI
InChI=1S/C19H19ClF3NO3S/c1-18(25,19(21,22)23)14-8-10-15(11-9-14)24(12-13-6-7-13)28(26,27)17-5-3-2-4-16(17)20/h2-5,8-11,13,25H,6-7,12H2,1H3
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InChIKey
QLJXFVLMELKUIH-UHFFFAOYSA-N
Physicochemical Property
logP
4.7151
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
57.61
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 16045657
SID: 24431727
ChEMBL ID
CHEMBL2035426
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
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 112 nM
   TI
   LI
   LO
   TS
2
IC50 > 1000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 46 nM