1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide

C16H22F3NO2S — CID 95733802

IUPAC1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CC1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3NO2S/c1-12(14-8-5-9-15(10-14)16(17,18)19)20-23(21,22)11-13-6-3-2-4-7-13/h5,8-10,12-13,20H,2-4,6-7,11H2,1H3/t12-/m1/s1
InChIKeyHHSPNPDKQQZKQX-GFCCVEGCSA-N
MW349.42 g/mol
LogP4.27
Rot. Bonds5

About 1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide

1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide (PubChem CID 95733802) has the molecular formula C16H22F3NO2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
PubChem CID95733802
Molecular FormulaC16H22F3NO2S
Molecular Weight349.42 g/mol
Exact Mass349.13
IUPAC Name1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CC1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3NO2S/c1-12(14-8-5-9-15(10-14)16(17,18)19)20-23(21,22)11-13-6-3-2-4-7-13/h5,8-10,12-13,20H,2-4,6-7,11H2,1H3/t12-/m1/s1
InChIKeyHHSPNPDKQQZKQX-GFCCVEGCSA-N
XLogP4.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63450355
(1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 81390965
1-cyclohexyl-N-[(1S)-1-(4-ethylphenyl)ethyl]methanesulfonamide
CID 95733790
1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide
CID 95733842
N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
CID 112764056
3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol
CID 103785891
N-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]sulfamoylmethyl]benzamide
CID 124733672
1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 65399168
N-[(4-methylcyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63464067
1,1-dioxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thian-4-amine
CID 43615085
(1S)-3-(4-methylsulfonylphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 90688734
3-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine
CID 103561386

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide (CID 95733802) is 1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide is C[C@@H](NS(=O)(=O)CC1CCCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide?
The InChIKey is HHSPNPDKQQZKQX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22F3NO2S/c1-12(14-8-5-9-15(10-14)16(17,18)19)20-23(21,22)11-13-6-3-2-4-7-13/h5,8-10,12-13,20H,2-4,6-7,11H2,1H3/t12-/m1/s1.
What are the key properties of 1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide?
1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide has a molecular weight of 349.42 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 95733802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).