N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide

C20H24F6N2O2S — CID 166911996

IUPACN-[(1S)-1-[1-(2,2-dimethylpropyl)-6-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide
SMILESCC(C)(C)Cn1cc([C@H](NS(=O)(=O)C2CCC2)C(F)(F)F)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C20H24F6N2O2S/c1-18(2,3)11-28-10-15(14-8-7-12(9-16(14)28)19(21,22)23)17(20(24,25)26)27-31(29,30)13-5-4-6-13/h7-10,13,17,27H,4-6,11H2,1-3H3/t17-/m0/s1
InChIKeyDSPXEVOUSZAAIU-KRWDZBQOSA-N
MW470.48 g/mol
LogP5.78
Rot. Bonds5

About N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide

N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide (PubChem CID 166911996) has the molecular formula C20H24F6N2O2S and a molecular weight of 470.48 g/mol. Its IUPAC name is N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(2,2-dimethylpropyl)-6-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide
PubChem CID166911996
Molecular FormulaC20H24F6N2O2S
Molecular Weight470.48 g/mol
Exact Mass470.15
IUPAC NameN-[(1S)-1-[1-(2,2-dimethylpropyl)-6-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide
SMILESCC(C)(C)Cn1cc([C@H](NS(=O)(=O)C2CCC2)C(F)(F)F)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C20H24F6N2O2S/c1-18(2,3)11-28-10-15(14-8-7-12(9-16(14)28)19(21,22)23)17(20(24,25)26)27-31(29,30)13-5-4-6-13/h7-10,13,17,27H,4-6,11H2,1-3H3/t17-/m0/s1
InChIKeyDSPXEVOUSZAAIU-KRWDZBQOSA-N
XLogP5.78
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.48
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide?
The IUPAC name of N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide (CID 166911996) is N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide.
What is the SMILES notation for N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide?
The canonical SMILES for N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide is CC(C)(C)Cn1cc([C@H](NS(=O)(=O)C2CCC2)C(F)(F)F)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide?
The InChIKey is DSPXEVOUSZAAIU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24F6N2O2S/c1-18(2,3)11-28-10-15(14-8-7-12(9-16(14)28)19(21,22)23)17(20(24,25)26)27-31(29,30)13-5-4-6-13/h7-10,13,17,27H,4-6,11H2,1-3H3/t17-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide?
N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide has a molecular weight of 470.48 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclobutanesulfonamide is sourced from PubChem (CID 166911996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).