N-cyclohexyl-1,1,1-trifluoromethanesulfonamide

C7H12F3NO2S — CID 14965464

IUPACN-cyclohexyl-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1CCCCC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO2S/c8-7(9,10)14(12,13)11-6-4-2-1-3-5-6/h6,11H,1-5H2
InChIKeyXQAODFCRMXMYHV-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.76
Rot. Bonds2

About N-cyclohexyl-1,1,1-trifluoromethanesulfonamide

N-cyclohexyl-1,1,1-trifluoromethanesulfonamide (PubChem CID 14965464) has the molecular formula C7H12F3NO2S and a molecular weight of 231.24 g/mol. Its IUPAC name is N-cyclohexyl-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-1,1,1-trifluoromethanesulfonamide
PubChem CID14965464
Molecular FormulaC7H12F3NO2S
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC NameN-cyclohexyl-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1CCCCC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO2S/c8-7(9,10)14(12,13)11-6-4-2-1-3-5-6/h6,11H,1-5H2
InChIKeyXQAODFCRMXMYHV-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-cyclohexyl-1,1,1-trifluoromethanesulfonamide (CID 14965464) is N-cyclohexyl-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-cyclohexyl-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-cyclohexyl-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NC1CCCCC1)C(F)(F)F.
What is the InChIKey of N-cyclohexyl-1,1,1-trifluoromethanesulfonamide?
The InChIKey is XQAODFCRMXMYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2S/c8-7(9,10)14(12,13)11-6-4-2-1-3-5-6/h6,11H,1-5H2.
What are the key properties of N-cyclohexyl-1,1,1-trifluoromethanesulfonamide?
N-cyclohexyl-1,1,1-trifluoromethanesulfonamide has a molecular weight of 231.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 14965464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).