N-[[5-fluoro-1-(3-fluorocyclobutyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide

C23H20F6N2O2S — CID 168956902

IUPACN-[[5-fluoro-1-(3-fluorocyclobutyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1cn(C2CC(F)C2)c2cc(-c3ccc(F)cc3C(F)(F)F)c(F)cc12)C1CC1
InChIInChI=1S/C23H20F6N2O2S/c24-13-1-4-17(20(7-13)23(27,28)29)19-9-22-18(8-21(19)26)12(10-30-34(32,33)16-2-3-16)11-31(22)15-5-14(25)6-15/h1,4,7-9,11,14-16,30H,2-3,5-6,10H2
InChIKeyQJAJJRFXTXVISI-UHFFFAOYSA-N
MW502.48 g/mol
LogP5.86
Rot. Bonds6

About N-[[5-fluoro-1-(3-fluorocyclobutyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide

N-[[5-fluoro-1-(3-fluorocyclobutyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide (PubChem CID 168956902) has the molecular formula C23H20F6N2O2S and a molecular weight of 502.48 g/mol. Its IUPAC name is N-[[5-fluoro-1-(3-fluorocyclobutyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[5-fluoro-1-(3-fluorocyclobutyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide
PubChem CID168956902
Molecular FormulaC23H20F6N2O2S
Molecular Weight502.48 g/mol
Exact Mass502.11
IUPAC NameN-[[5-fluoro-1-(3-fluorocyclobutyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1cn(C2CC(F)C2)c2cc(-c3ccc(F)cc3C(F)(F)F)c(F)cc12)C1CC1
InChIInChI=1S/C23H20F6N2O2S/c24-13-1-4-17(20(7-13)23(27,28)29)19-9-22-18(8-21(19)26)12(10-30-34(32,33)16-2-3-16)11-31(22)15-5-14(25)6-15/h1,4,7-9,11,14-16,30H,2-3,5-6,10H2
InChIKeyQJAJJRFXTXVISI-UHFFFAOYSA-N
XLogP5.86
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.48
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[6-amino-2-(trifluoromethyl)-3-pyridinyl]-5-fluoro-1-(3-fluorocyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide
CID 168956751
N-[[5-fluoro-1-(3-fluorocyclobutyl)-6-[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanesulfonamide
CID 168956918
N-[[5-fluoro-1-(3-methoxy-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide
CID 166912093
N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[2-methyl-4-(trifluoromethyl)-3-pyridinyl]indol-3-yl]methyl]cyclopropanesulfonamide
CID 168956789
N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide
CID 169304884
N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]indol-3-yl]methyl]cyclobutanesulfonamide
CID 168956980
N-[(1S)-1-[1-(2,2-dimethylpropyl)-5-fluoro-6-[4-fluoro-2-(fluoromethyl)phenyl]indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 169304496
N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 166911156
N-[[5-fluoro-1-(2-methylpropyl)-6-(1,3-thiazol-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide
CID 163678484
N-[[5-fluoro-1-(2-methylpropyl)-6-(5,6,7,8-tetrahydroquinolin-4-yl)indol-3-yl]methyl]cyclopropanesulfonamide
CID 166911462
N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-[2-(trifluoromethyl)phenyl]indol-3-yl]-2,2-difluoroethyl]cyclopropanesulfonamide
CID 169304895
N-[[6-[2-cyano-4-(trifluoromethyl)-3-pyridinyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfonamide;N-[[6-[3-(difluoromethyl)-2-pyridinyl]-1-(2,2-dimethylbutyl)indol-3-yl]methyl]cyclopropanesulfonamide
CID 168956874

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-1-(3-fluorocyclobutyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[5-fluoro-1-(3-fluorocyclobutyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide (CID 168956902) is N-[[5-fluoro-1-(3-fluorocyclobutyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[5-fluoro-1-(3-fluorocyclobutyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[5-fluoro-1-(3-fluorocyclobutyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide is O=S(=O)(NCc1cn(C2CC(F)C2)c2cc(-c3ccc(F)cc3C(F)(F)F)c(F)cc12)C1CC1.
What is the InChIKey of N-[[5-fluoro-1-(3-fluorocyclobutyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide?
The InChIKey is QJAJJRFXTXVISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F6N2O2S/c24-13-1-4-17(20(7-13)23(27,28)29)19-9-22-18(8-21(19)26)12(10-30-34(32,33)16-2-3-16)11-31(22)15-5-14(25)6-15/h1,4,7-9,11,14-16,30H,2-3,5-6,10H2.
What are the key properties of N-[[5-fluoro-1-(3-fluorocyclobutyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide?
N-[[5-fluoro-1-(3-fluorocyclobutyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide has a molecular weight of 502.48 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-1-(3-fluorocyclobutyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 168956902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).