N-[2,2,2-trifluoro-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide

C24H24F6N2O2S — CID 166911322

IUPACN-[2,2,2-trifluoro-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
SMILESCC(C)Cn1cc(C(NS(=O)(=O)C2CC2)C(F)(F)F)c2ccc(-c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C24H24F6N2O2S/c1-14(2)12-32-13-19(22(24(28,29)30)31-35(33,34)16-8-9-16)18-10-7-15(11-21(18)32)17-5-3-4-6-20(17)23(25,26)27/h3-7,10-11,13-14,16,22,31H,8-9,12H2,1-2H3
InChIKeyNECDAWXLCJDWTH-UHFFFAOYSA-N
MW518.52 g/mol
LogP6.67
Rot. Bonds7

About N-[2,2,2-trifluoro-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide

N-[2,2,2-trifluoro-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide (PubChem CID 166911322) has the molecular formula C24H24F6N2O2S and a molecular weight of 518.52 g/mol. Its IUPAC name is N-[2,2,2-trifluoro-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2,2,2-trifluoro-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
PubChem CID166911322
Molecular FormulaC24H24F6N2O2S
Molecular Weight518.52 g/mol
Exact Mass518.15
IUPAC NameN-[2,2,2-trifluoro-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
SMILESCC(C)Cn1cc(C(NS(=O)(=O)C2CC2)C(F)(F)F)c2ccc(-c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C24H24F6N2O2S/c1-14(2)12-32-13-19(22(24(28,29)30)31-35(33,34)16-8-9-16)18-10-7-15(11-21(18)32)17-5-3-4-6-20(17)23(25,26)27/h3-7,10-11,13-14,16,22,31H,8-9,12H2,1-2H3
InChIKeyNECDAWXLCJDWTH-UHFFFAOYSA-N
XLogP6.67
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.52
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2,2,2-trifluoro-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,2,2-trifluoro-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2,2,2-trifluoro-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide (CID 166911322) is N-[2,2,2-trifluoro-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2,2,2-trifluoro-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2,2,2-trifluoro-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide is CC(C)Cn1cc(C(NS(=O)(=O)C2CC2)C(F)(F)F)c2ccc(-c3ccccc3C(F)(F)F)cc21.
What is the InChIKey of N-[2,2,2-trifluoro-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide?
The InChIKey is NECDAWXLCJDWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F6N2O2S/c1-14(2)12-32-13-19(22(24(28,29)30)31-35(33,34)16-8-9-16)18-10-7-15(11-21(18)32)17-5-3-4-6-20(17)23(25,26)27/h3-7,10-11,13-14,16,22,31H,8-9,12H2,1-2H3.
What are the key properties of N-[2,2,2-trifluoro-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide?
N-[2,2,2-trifluoro-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide has a molecular weight of 518.52 g/mol, XLogP of 6.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,2-trifluoro-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 166911322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).