(3R)-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3,7-diol

C16H14F3NO4S — CID 122673037

IUPAC(3R)-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3,7-diol
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1C[C@H](O)Cc2ccc(O)cc21
InChIInChI=1S/C16H14F3NO4S/c17-16(18,19)11-2-1-3-14(7-11)25(23,24)20-9-13(22)6-10-4-5-12(21)8-15(10)20/h1-5,7-8,13,21-22H,6,9H2/t13-/m1/s1
InChIKeyMSMFXLZLWBQWAL-CYBMUJFWSA-N
MW373.35 g/mol
LogP2.52
Rot. Bonds2

About (3R)-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3,7-diol

(3R)-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3,7-diol (PubChem CID 122673037) has the molecular formula C16H14F3NO4S and a molecular weight of 373.35 g/mol. Its IUPAC name is (3R)-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3,7-diol.

Molecular Properties

Compound Name(3R)-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3,7-diol
PubChem CID122673037
Molecular FormulaC16H14F3NO4S
Molecular Weight373.35 g/mol
Exact Mass373.06
IUPAC Name(3R)-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3,7-diol
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1C[C@H](O)Cc2ccc(O)cc21
InChIInChI=1S/C16H14F3NO4S/c17-16(18,19)11-2-1-3-14(7-11)25(23,24)20-9-13(22)6-10-4-5-12(21)8-15(10)20/h1-5,7-8,13,21-22H,6,9H2/t13-/m1/s1
InChIKeyMSMFXLZLWBQWAL-CYBMUJFWSA-N
XLogP2.52
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3,7-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-7-yl] trifluoromethanesulfonate
CID 129278309
[(3R)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-7-yl] trifluoromethanesulfonate
CID 122672990
(3R)-7-[2-(2-chloro-6-fluorophenyl)prop-1-enyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-ol
CID 154389080
(3S)-7-[(E)-2-(2-chloro-6-fluorophenyl)prop-1-enyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-ol
CID 126662289
7-[(E)-2-(2-chloro-6-fluorophenyl)prop-1-enyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 118348713
(3R)-7-[(2-chloro-6-fluorophenyl)methoxy]-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-amine
CID 126662519
3-azido-7-[2-(2-chloro-6-fluorophenyl)prop-1-enyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 129278603
7-(2,5-difluorophenyl)-3-[(2-methylpropan-2-yl)oxy]-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 166991351
(6aS)-3-bromo-5-[3-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-8-ol
CID 154658494
2-[[(3R)-7-[(E)-2-(2-chloro-6-fluorophenyl)prop-1-enyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy]-2-methylpropanoic acid
CID 129278545
[(2R)-2-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]methanol
CID 129305227
6-iodo-2-(2-iodoethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 145183655

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3,7-diol?
The IUPAC name of (3R)-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3,7-diol (CID 122673037) is (3R)-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3,7-diol.
What is the SMILES notation for (3R)-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3,7-diol?
The canonical SMILES for (3R)-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3,7-diol is O=S(=O)(c1cccc(C(F)(F)F)c1)N1C[C@H](O)Cc2ccc(O)cc21.
What is the InChIKey of (3R)-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3,7-diol?
The InChIKey is MSMFXLZLWBQWAL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14F3NO4S/c17-16(18,19)11-2-1-3-14(7-11)25(23,24)20-9-13(22)6-10-4-5-12(21)8-15(10)20/h1-5,7-8,13,21-22H,6,9H2/t13-/m1/s1.
What are the key properties of (3R)-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3,7-diol?
(3R)-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3,7-diol has a molecular weight of 373.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3,7-diol is sourced from PubChem (CID 122673037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).