N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide

C19H21F3N2O3S — CID 55923067

IUPACN-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc2c1CCCN2Cc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O3S/c1-28(25,26)23-17-8-3-9-18-16(17)7-4-10-24(18)12-14-5-2-6-15(11-14)27-13-19(20,21)22/h2-3,5-6,8-9,11,23H,4,7,10,12-13H2,1H3
InChIKeyADZIRTJBVISCKK-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.95
Rot. Bonds6

About N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide

N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide (PubChem CID 55923067) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
PubChem CID55923067
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC NameN-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc2c1CCCN2Cc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O3S/c1-28(25,26)23-17-8-3-9-18-16(17)7-4-10-24(18)12-14-5-2-6-15(11-14)27-13-19(20,21)22/h2-3,5-6,8-9,11,23H,4,7,10,12-13H2,1H3
InChIKeyADZIRTJBVISCKK-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide with MolForge

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Related Compounds

N-[1-[(5-cyano-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
CID 71939912
N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
CID 47056365
4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazine-1-sulfonamide
CID 47066558
3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 56525211
4-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]sulfonylbenzonitrile
CID 55922548
2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-2-yl]ethanol
CID 111111621
3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-5-yl)methoxy]-2-fluorophenyl]propanal
CID 89062888
1-benzyl-5-ethoxy-3,4-dihydro-2H-quinoline
CID 133059523
tert-butyl N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]carbamate
CID 55921514
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 78894810
1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
CID 95160732
(9aS)-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124784718

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide?
The IUPAC name of N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide (CID 55923067) is N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide?
The canonical SMILES for N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide is CS(=O)(=O)Nc1cccc2c1CCCN2Cc1cccc(OCC(F)(F)F)c1.
What is the InChIKey of N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide?
The InChIKey is ADZIRTJBVISCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-28(25,26)23-17-8-3-9-18-16(17)7-4-10-24(18)12-14-5-2-6-15(11-14)27-13-19(20,21)22/h2-3,5-6,8-9,11,23H,4,7,10,12-13H2,1H3.
What are the key properties of N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide?
N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide has a molecular weight of 414.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide is sourced from PubChem (CID 55923067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).