N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide

C14H19F3N2O2S — CID 59537672

IUPACN-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
SMILESNC1CCCCC1NS(=O)(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O2S/c15-14(16,17)11-6-2-1-5-10(11)9-22(20,21)19-13-8-4-3-7-12(13)18/h1-2,5-6,12-13,19H,3-4,7-9,18H2
InChIKeyDJUPDIQTPXPUNO-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.39
Rot. Bonds4

About N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide

N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 59537672) has the molecular formula C14H19F3N2O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID59537672
Molecular FormulaC14H19F3N2O2S
Molecular Weight336.38 g/mol
Exact Mass336.11
IUPAC NameN-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
SMILESNC1CCCCC1NS(=O)(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O2S/c15-14(16,17)11-6-2-1-5-10(11)9-22(20,21)19-13-8-4-3-7-12(13)18/h1-2,5-6,12-13,19H,3-4,7-9,18H2
InChIKeyDJUPDIQTPXPUNO-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide
CID 93453368
N-piperidin-3-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
CID 120999521
N-[(1S,2S)-2-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]methanesulfonamide
CID 99778329
N-(2-aminoethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 120998849
N-(2-aminocyclohexyl)-1-(2,6-diphenoxyphenyl)methanesulfonamide
CID 59537550
N-(2-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)methanesulfonamide
CID 59537762
1-[2-(aminomethyl)phenyl]-N-(2-methylcyclohexyl)methanesulfonamide
CID 43094907
N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119985718
N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-2-(trifluoromethyl)benzenesulfonamide
CID 97079898
N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium
CID 87792256
N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059853
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide
CID 104953174

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide (CID 59537672) is N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide is NC1CCCCC1NS(=O)(=O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is DJUPDIQTPXPUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2S/c15-14(16,17)11-6-2-1-5-10(11)9-22(20,21)19-13-8-4-3-7-12(13)18/h1-2,5-6,12-13,19H,3-4,7-9,18H2.
What are the key properties of N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide?
N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 336.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 59537672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).