trifluoromethanesulfonamide;1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide

C9H16F6N2O4S2 — CID 143893301

IUPACtrifluoromethanesulfonamide;1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)C(F)(F)F.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2S.CH2F3NO2S/c1-6-4-2-3-5-7(6)12-15(13,14)8(9,10)11;2-1(3,4)8(5,6)7/h6-7,12H,2-5H2,1H3;(H2,5,6,7)
InChIKeyUQJSELKGJLIVQZ-UHFFFAOYSA-N
MW394.36 g/mol
LogP1.80
Rot. Bonds2

About trifluoromethanesulfonamide;1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide

trifluoromethanesulfonamide;1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide (PubChem CID 143893301) has the molecular formula C9H16F6N2O4S2 and a molecular weight of 394.36 g/mol. Its IUPAC name is trifluoromethanesulfonamide;1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide.

Molecular Properties

Compound Nametrifluoromethanesulfonamide;1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide
PubChem CID143893301
Molecular FormulaC9H16F6N2O4S2
Molecular Weight394.36 g/mol
Exact Mass394.05
IUPAC Nametrifluoromethanesulfonamide;1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)C(F)(F)F.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2S.CH2F3NO2S/c1-6-4-2-3-5-7(6)12-15(13,14)8(9,10)11;2-1(3,4)8(5,6)7/h6-7,12H,2-5H2,1H3;(H2,5,6,7)
InChIKeyUQJSELKGJLIVQZ-UHFFFAOYSA-N
XLogP1.80
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(R,R) N-(1,2-Dicyclohexyl-2-trifluoromethanesulfonylamino-ethyl9-C,C,C-trifluoro-methanesulfonamide
CID 139189976
1,1,1-trifluoro-N-(4-methylcyclohexyl)methanesulfonamide
CID 58427698
1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide
CID 71026178
N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide
CID 121432266
N-[4-(aminomethyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 132175511
N-(4-ethylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 132175521
N-(2,6-diethylcyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 140430226
1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide
CID 143893293
N-(1-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 146718329
Bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine
CID 159813378
1,1,1-trifluoro-N-[5-methyl-6-(trifluoromethylsulfonylamino)hexyl]methanesulfonamide
CID 167003100
1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide
CID 176856861

Frequently Asked Questions

What is the IUPAC name of trifluoromethanesulfonamide;1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide?
The IUPAC name of trifluoromethanesulfonamide;1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide (CID 143893301) is trifluoromethanesulfonamide;1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide.
What is the SMILES notation for trifluoromethanesulfonamide;1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide?
The canonical SMILES for trifluoromethanesulfonamide;1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide is CC1CCCCC1NS(=O)(=O)C(F)(F)F.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of trifluoromethanesulfonamide;1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide?
The InChIKey is UQJSELKGJLIVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S.CH2F3NO2S/c1-6-4-2-3-5-7(6)12-15(13,14)8(9,10)11;2-1(3,4)8(5,6)7/h6-7,12H,2-5H2,1H3;(H2,5,6,7).
What are the key properties of trifluoromethanesulfonamide;1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide?
trifluoromethanesulfonamide;1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide has a molecular weight of 394.36 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethanesulfonamide;1,1,1-trifluoro-N-(2-methylcyclohexyl)methanesulfonamide is sourced from PubChem (CID 143893301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).