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293753-05-6 | 2-Thiophenesulfonamide, N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]-
CAS No: 293753-05-6 Catalog No: AG002Y7V MDL No:MFCD02724814
Product Description
Catalog Number:
AG002Y7V
Chemical Name:
2-Thiophenesulfonamide, N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]-
CAS Number:
293753-05-6
Molecular Formula:
C13H9F6NO3S2
Molecular Weight:
405.3359
MDL Number:
MFCD02724814
IUPAC Name:
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]thiophene-2-sulfonamide
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
InChI Key:
LZWUNZRMANFRAO-UHFFFAOYSA-N
SMILES:
FC(C(C(F)(F)F)(c1ccc(cc1)NS(=O)(=O)c1cccs1)O)(F)F
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.993g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
405.329g/mol
Monoisotopic Mass:
404.993g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Identification of SR3335 (ML-176): a synthetic RORα selective inverse agonist. | ACS chemical biology 20110318 |
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