N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.

Sulfanilides

Organic compounds

Benzenoids

Benzene and substituted derivatives

Sulfanilides

Calculated Property

kind Value Source
logP 3.83 ALOGPS
logS -4.7 ALOGPS
Water Solubility 8.67e-03 g/l ALOGPS
logP 4.77 ChemAxon
IUPAC Name N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide ChemAxon
Traditional IUPAC Name N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide ChemAxon
Molecular Weight 481.333 ChemAxon
Monoisotopic Weight 481.03941779 ChemAxon
SMILES OC(C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C1=CC=CC=C1)(C(F)(F)F)C(F)(F)F ChemAxon
Molecular Formula C17H12F9NO3S ChemAxon
InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 ChemAxon
InChIKey InChIKey=SGIWFELWJPNFDH-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 57.61 ChemAxon
Refractivity 90.51 ChemAxon
Polarizability 35.14 ChemAxon
Rotatable Bond Count 7 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 7.45 ChemAxon
pKa (strongest basic) -6.1 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Oxysterols receptor LXR-beta : in Human
  • Nuclear receptor coactivator 2 : in Human
  • Retinoic acid receptor RXR-beta : in Human
  • Oxysterols receptor LXR-alpha : in Human
  • Nuclear receptor coactivator 1 : in Human
  • Nuclear receptor subfamily 1 group I member 2 : in Human