N-cyclohexyl-2,2,2-trifluoroethanesulfonamide

C8H14F3NO2S — CID 175355743

IUPACN-cyclohexyl-2,2,2-trifluoroethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C8H14F3NO2S/c9-8(10,11)6-15(13,14)12-7-4-2-1-3-5-7/h7,12H,1-6H2
InChIKeyXEIHBXULYPOQGO-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.80
Rot. Bonds3

About N-cyclohexyl-2,2,2-trifluoroethanesulfonamide

N-cyclohexyl-2,2,2-trifluoroethanesulfonamide (PubChem CID 175355743) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is N-cyclohexyl-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2,2,2-trifluoroethanesulfonamide
PubChem CID175355743
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC NameN-cyclohexyl-2,2,2-trifluoroethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C8H14F3NO2S/c9-8(10,11)6-15(13,14)12-7-4-2-1-3-5-7/h7,12H,1-6H2
InChIKeyXEIHBXULYPOQGO-UHFFFAOYSA-N
XLogP1.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-cyclohexyl-2,2,2-trifluoroethanesulfonamide (CID 175355743) is N-cyclohexyl-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-cyclohexyl-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-cyclohexyl-2,2,2-trifluoroethanesulfonamide is O=S(=O)(CC(F)(F)F)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2,2,2-trifluoroethanesulfonamide?
The InChIKey is XEIHBXULYPOQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c9-8(10,11)6-15(13,14)12-7-4-2-1-3-5-7/h7,12H,1-6H2.
What are the key properties of N-cyclohexyl-2,2,2-trifluoroethanesulfonamide?
N-cyclohexyl-2,2,2-trifluoroethanesulfonamide has a molecular weight of 245.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 175355743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).