1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline

C16H14F3NO3S — CID 3483007

IUPAC1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1ccccc1OC(F)(F)F)N1CCCc2ccccc21
InChIInChI=1S/C16H14F3NO3S/c17-16(18,19)23-14-9-3-4-10-15(14)24(21,22)20-11-5-7-12-6-1-2-8-13(12)20/h1-4,6,8-10H,5,7,11H2
InChIKeyHOHDXHHDCASHGI-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.73
Rot. Bonds3

About 1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline

1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 3483007) has the molecular formula C16H14F3NO3S and a molecular weight of 357.35 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID3483007
Molecular FormulaC16H14F3NO3S
Molecular Weight357.35 g/mol
Exact Mass357.06
IUPAC Name1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1ccccc1OC(F)(F)F)N1CCCc2ccccc21
InChIInChI=1S/C16H14F3NO3S/c17-16(18,19)23-14-9-3-4-10-15(14)24(21,22)20-11-5-7-12-6-1-2-8-13(12)20/h1-4,6,8-10H,5,7,11H2
InChIKeyHOHDXHHDCASHGI-UHFFFAOYSA-N
XLogP3.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline 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

1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 51169545
4-[2-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydro-1,4-benzothiazine
CID 112808751
2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenol
CID 81233664
1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 15836554
1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole
CID 4806090
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 2129442
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 11567186
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-fluorobenzoate
CID 9160527
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1H-pyrazol-5-amine
CID 60814697
[(1R)-2-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methanol
CID 97257915
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
CID 31064364

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline (CID 3483007) is 1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline is O=S(=O)(c1ccccc1OC(F)(F)F)N1CCCc2ccccc21.
What is the InChIKey of 1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is HOHDXHHDCASHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3S/c17-16(18,19)23-14-9-3-4-10-15(14)24(21,22)20-11-5-7-12-6-1-2-8-13(12)20/h1-4,6,8-10H,5,7,11H2.
What are the key properties of 1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline?
1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 357.35 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 3483007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).