General Information of the Compound
Compound ID
CP0952843
Compound Name
N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)thiophene-2-sulfonamide
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Synonyms
2-Thiophenesulfonamide, N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]-
293753-05-6
4064AH
AC-32811
AK547718
AS-74314
BCP13177
C13H9F6NO3S2
CHEBI:92371
CHEMBL3218916
CS-1044
DTXSID70368245
HMS3740K07
HY-14413
ML 176
ML-176
ML-176;SR 3335;SR-3335;ML176;ML 176
ML176
MLS003126319
N-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl)thiophene-2-sulfonamide
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-thiophenesulfonamide
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]thiophene-2-sulfonamide
N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]-2-thiophenesulfonamide
N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}thiophene-2-sulfonamide
NCGC00378899-02
NCGC00378899-03
Q27164113
SCHEMBL12334063
SMR001835204
SR-06000113335-2
SR-3335
SR-3335;SR 3335
SR3335
W-5295
ZINC3243391
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Structure
Formula
C13H9F6NO3S2
Molecular Weight
405.341
Canonical SMILES
O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cccs1
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InChI
InChI=1S/C13H9F6NO3S2/c14-12(15,16)11(21,13(17,18)19)8-3-5-9(6-4-8)20-25(22,23)10-2-1-7-24-10/h1-7,20-21H
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InChIKey
LZWUNZRMANFRAO-UHFFFAOYSA-N
Physicochemical Property
logP
3.8611
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
66.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 2360837
SID: 125318978
ChEMBL ID
CHEMBL3218916
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: PT02658, Nuclear receptor ROR-alpha
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 480 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( SR3335 )
Drug Name SR3335
Indication
Type-2 diabetes
Preclinical
Target(s)
Nuclear receptor ROR-alpha (RORA)
 Target Info 
Agonist