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Chemical structure of SR3335

GC12877

SR3335

Also known as N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]thiophene-2-sulfonamide

A selective inverse agonist of RORα

ChemicalCAS293753-05-6MW405.34FormulaC13H9F6NO3S2
CAS number
293753-05-6
Molecular weight
405.34
Formula
C13H9F6NO3S2
Solubility
≥ 88·8 mg/mL in DMSO, ≥ 87·4 mg/mL in EtOH
InChIKey
LZWUNZRMANFRAO-UHFFFAOYSA-N
Catalogue number
GC12877
Brand
GLPBIO
Computed properties PubChem CID 2360837 · XLogP 3.7 · TPSA 103 Ų · H-bond donors 2
XLogP
3.7
TPSA
103 Ų
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
4
Heavy atoms
25

SMILES C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O

Computed descriptors from PubChem (CID 2360837), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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