N-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide

C8H14F3NO2S — CID 60722151

IUPACN-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO2S/c1-15(13,14)12-7-4-2-6(3-5-7)8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyKZWIMCUYKLZBCA-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.66
Rot. Bonds2

About N-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide

N-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide (PubChem CID 60722151) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide
PubChem CID60722151
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC NameN-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO2S/c1-15(13,14)12-7-4-2-6(3-5-7)8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyKZWIMCUYKLZBCA-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide?
The IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide (CID 60722151) is N-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide is CS(=O)(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide?
The InChIKey is KZWIMCUYKLZBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-15(13,14)12-7-4-2-6(3-5-7)8(9,10)11/h6-7,12H,2-5H2,1H3.
What are the key properties of N-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide?
N-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide has a molecular weight of 245.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 60722151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).