7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide

C18H16F4N2O3S — CID 55871930

IUPAC7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C18H16F4N2O3S/c1-24(10-12-4-2-3-5-13(12)18(20,21)22)28(26,27)16-8-11-6-7-17(25)23-15(11)9-14(16)19/h2-5,8-9H,6-7,10H2,1H3,(H,23,25)
InChIKeyVOBKORUGUCCORD-UHFFFAOYSA-N
MW416.40 g/mol
LogP3.55
Rot. Bonds4

About 7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide

7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 55871930) has the molecular formula C18H16F4N2O3S and a molecular weight of 416.40 g/mol. Its IUPAC name is 7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID55871930
Molecular FormulaC18H16F4N2O3S
Molecular Weight416.40 g/mol
Exact Mass416.08
IUPAC Name7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C18H16F4N2O3S/c1-24(10-12-4-2-3-5-13(12)18(20,21)22)28(26,27)16-8-11-6-7-17(25)23-15(11)9-14(16)19/h2-5,8-9H,6-7,10H2,1H3,(H,23,25)
InChIKeyVOBKORUGUCCORD-UHFFFAOYSA-N
XLogP3.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide with MolForge

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Related Compounds

2-bromo-4-fluoro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 52697144
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 47213624
methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl-propylamino]acetate
CID 55905067
7-fluoro-6-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one
CID 94635879
6-chloro-N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-quinoline-7-sulfonamide
CID 39019816
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55871143
N,N-diethyl-4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 55731159
N-[(3-chlorophenyl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55874005
7-fluoro-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 146143545
6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457700
1-[4-(dimethylamino)phenyl]-N-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]cyclopropane-1-carboxamide
CID 166191874
7-fluoro-N-(2-methoxy-5-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55731030

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of 7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 55871930) is 7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for 7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide is CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is VOBKORUGUCCORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O3S/c1-24(10-12-4-2-3-5-13(12)18(20,21)22)28(26,27)16-8-11-6-7-17(25)23-15(11)9-14(16)19/h2-5,8-9H,6-7,10H2,1H3,(H,23,25).
What are the key properties of 7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide?
7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 416.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 55871930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).