[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl] sulfamate

C11H11F3N2O4S — CID 138522146

IUPAC[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl] sulfamate
SMILESNS(=O)(=O)OC1CCN(C(=O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C11H11F3N2O4S/c12-11(13,14)10(17)16-6-5-9(20-21(15,18)19)7-3-1-2-4-8(7)16/h1-4,9H,5-6H2,(H2,15,18,19)
InChIKeyNMTCDKSXRKKPFL-UHFFFAOYSA-N
MW324.28 g/mol
LogP1.25
Rot. Bonds2

About [1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl] sulfamate

[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl] sulfamate (PubChem CID 138522146) has the molecular formula C11H11F3N2O4S and a molecular weight of 324.28 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl] sulfamate.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl] sulfamate
PubChem CID138522146
Molecular FormulaC11H11F3N2O4S
Molecular Weight324.28 g/mol
Exact Mass324.04
IUPAC Name[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl] sulfamate
SMILESNS(=O)(=O)OC1CCN(C(=O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C11H11F3N2O4S/c12-11(13,14)10(17)16-6-5-9(20-21(15,18)19)7-3-1-2-4-8(7)16/h1-4,9H,5-6H2,(H2,15,18,19)
InChIKeyNMTCDKSXRKKPFL-UHFFFAOYSA-N
XLogP1.25
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl] sulfamate 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

methyl 1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinoline-4-carboxylate
CID 615024
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564111
1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709451
2,2,2-trifluoro-1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
CID 87126610
2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709515
(4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110709472
N-cyclohexyl-4-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110746959
tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 18337536
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide
CID 57047254
1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 59657880
(2-chlorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110709489
tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960

Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl] sulfamate?
The IUPAC name of [1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl] sulfamate (CID 138522146) is [1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl] sulfamate.
What is the SMILES notation for [1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl] sulfamate?
The canonical SMILES for [1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl] sulfamate is NS(=O)(=O)OC1CCN(C(=O)C(F)(F)F)c2ccccc21.
What is the InChIKey of [1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl] sulfamate?
The InChIKey is NMTCDKSXRKKPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4S/c12-11(13,14)10(17)16-6-5-9(20-21(15,18)19)7-3-1-2-4-8(7)16/h1-4,9H,5-6H2,(H2,15,18,19).
What are the key properties of [1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl] sulfamate?
[1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl] sulfamate has a molecular weight of 324.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinolin-4-yl] sulfamate is sourced from PubChem (CID 138522146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).