N-cyclohexyl-1,1,2,2,2-pentafluoroethanesulfonamide

C8H12F5NO2S — CID 129294969

IUPACN-cyclohexyl-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESO=S(=O)(NC1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F5NO2S/c9-7(10,11)8(12,13)17(15,16)14-6-4-2-1-3-5-6/h6,14H,1-5H2
InChIKeyMZPGFUVUERYJGS-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.39
Rot. Bonds3

About N-cyclohexyl-1,1,2,2,2-pentafluoroethanesulfonamide

N-cyclohexyl-1,1,2,2,2-pentafluoroethanesulfonamide (PubChem CID 129294969) has the molecular formula C8H12F5NO2S and a molecular weight of 281.25 g/mol. Its IUPAC name is N-cyclohexyl-1,1,2,2,2-pentafluoroethanesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-1,1,2,2,2-pentafluoroethanesulfonamide
PubChem CID129294969
Molecular FormulaC8H12F5NO2S
Molecular Weight281.25 g/mol
Exact Mass281.05
IUPAC NameN-cyclohexyl-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESO=S(=O)(NC1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F5NO2S/c9-7(10,11)8(12,13)17(15,16)14-6-4-2-1-3-5-6/h6,14H,1-5H2
InChIKeyMZPGFUVUERYJGS-UHFFFAOYSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,1,2,2,2-pentafluoroethanesulfonamide?
The IUPAC name of N-cyclohexyl-1,1,2,2,2-pentafluoroethanesulfonamide (CID 129294969) is N-cyclohexyl-1,1,2,2,2-pentafluoroethanesulfonamide.
What is the SMILES notation for N-cyclohexyl-1,1,2,2,2-pentafluoroethanesulfonamide?
The canonical SMILES for N-cyclohexyl-1,1,2,2,2-pentafluoroethanesulfonamide is O=S(=O)(NC1CCCCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of N-cyclohexyl-1,1,2,2,2-pentafluoroethanesulfonamide?
The InChIKey is MZPGFUVUERYJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F5NO2S/c9-7(10,11)8(12,13)17(15,16)14-6-4-2-1-3-5-6/h6,14H,1-5H2.
What are the key properties of N-cyclohexyl-1,1,2,2,2-pentafluoroethanesulfonamide?
N-cyclohexyl-1,1,2,2,2-pentafluoroethanesulfonamide has a molecular weight of 281.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,1,2,2,2-pentafluoroethanesulfonamide is sourced from PubChem (CID 129294969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).