N-[(1S)-1-[6-(2-chlorophenyl)-1-(2-methylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide

C23H24ClF3N2O2S — CID 163569055

IUPACN-[(1S)-1-[6-(2-chlorophenyl)-1-(2-methylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
SMILESCC(C)Cn1cc([C@H](NS(=O)(=O)C2CC2)C(F)(F)F)c2ccc(-c3ccccc3Cl)cc21
InChIInChI=1S/C23H24ClF3N2O2S/c1-14(2)12-29-13-19(22(23(25,26)27)28-32(30,31)16-8-9-16)18-10-7-15(11-21(18)29)17-5-3-4-6-20(17)24/h3-7,10-11,13-14,16,22,28H,8-9,12H2,1-2H3/t22-/m0/s1
InChIKeyFXRIHHVQOMOUAZ-QFIPXVFZSA-N
MW484.97 g/mol
LogP6.30
Rot. Bonds7

About N-[(1S)-1-[6-(2-chlorophenyl)-1-(2-methylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide

N-[(1S)-1-[6-(2-chlorophenyl)-1-(2-methylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide (PubChem CID 163569055) has the molecular formula C23H24ClF3N2O2S and a molecular weight of 484.97 g/mol. Its IUPAC name is N-[(1S)-1-[6-(2-chlorophenyl)-1-(2-methylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-[6-(2-chlorophenyl)-1-(2-methylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
PubChem CID163569055
Molecular FormulaC23H24ClF3N2O2S
Molecular Weight484.97 g/mol
Exact Mass484.12
IUPAC NameN-[(1S)-1-[6-(2-chlorophenyl)-1-(2-methylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
SMILESCC(C)Cn1cc([C@H](NS(=O)(=O)C2CC2)C(F)(F)F)c2ccc(-c3ccccc3Cl)cc21
InChIInChI=1S/C23H24ClF3N2O2S/c1-14(2)12-29-13-19(22(23(25,26)27)28-32(30,31)16-8-9-16)18-10-7-15(11-21(18)29)17-5-3-4-6-20(17)24/h3-7,10-11,13-14,16,22,28H,8-9,12H2,1-2H3/t22-/m0/s1
InChIKeyFXRIHHVQOMOUAZ-QFIPXVFZSA-N
XLogP6.30
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.97
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-[6-(2-cyanophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 166911205
2-[3-[(1S)-1-(cyclopropylsulfonylamino)-2,2,2-trifluoroethyl]-1-(2,2-dimethylpropyl)indol-6-yl]-N,N-dimethylbenzamide
CID 169304925
N-[(1S)-1-[1-(3-cyano-2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 166911263
N-[(1S)-2,2,2-trifluoro-1-[1-[(1-methylcyclopropyl)methyl]-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide
CID 166911190
N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 166911156
N-[(1S)-1-[1-(2,2-dimethylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]-2,2,2-trifluoroethyl]-3,3-difluorocyclobutane-1-sulfonamide
CID 166911551
N-[2,2,2-trifluoro-1-[1-(2-methylpropanoyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide
CID 169304401
N-[(1R)-1-[6-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345326
N-[1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 169304610
N-[(1S)-1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
CID 166911883
N-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345331
3-[(1R)-1-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indole
CID 170348344

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[6-(2-chlorophenyl)-1-(2-methylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide?
The IUPAC name of N-[(1S)-1-[6-(2-chlorophenyl)-1-(2-methylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide (CID 163569055) is N-[(1S)-1-[6-(2-chlorophenyl)-1-(2-methylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1S)-1-[6-(2-chlorophenyl)-1-(2-methylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1S)-1-[6-(2-chlorophenyl)-1-(2-methylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide is CC(C)Cn1cc([C@H](NS(=O)(=O)C2CC2)C(F)(F)F)c2ccc(-c3ccccc3Cl)cc21.
What is the InChIKey of N-[(1S)-1-[6-(2-chlorophenyl)-1-(2-methylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide?
The InChIKey is FXRIHHVQOMOUAZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H24ClF3N2O2S/c1-14(2)12-29-13-19(22(23(25,26)27)28-32(30,31)16-8-9-16)18-10-7-15(11-21(18)29)17-5-3-4-6-20(17)24/h3-7,10-11,13-14,16,22,28H,8-9,12H2,1-2H3/t22-/m0/s1.
What are the key properties of N-[(1S)-1-[6-(2-chlorophenyl)-1-(2-methylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide?
N-[(1S)-1-[6-(2-chlorophenyl)-1-(2-methylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide has a molecular weight of 484.97 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[6-(2-chlorophenyl)-1-(2-methylpropyl)indol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide is sourced from PubChem (CID 163569055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).