N-(cyclohexylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide

C9H14F5NO2S — CID 129294893

IUPACN-(cyclohexylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESO=S(=O)(NCC1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H14F5NO2S/c10-8(11,12)9(13,14)18(16,17)15-6-7-4-2-1-3-5-7/h7,15H,1-6H2
InChIKeyOEXMWDORPZLEDJ-UHFFFAOYSA-N
MW295.27 g/mol
LogP2.64
Rot. Bonds4

About N-(cyclohexylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide

N-(cyclohexylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide (PubChem CID 129294893) has the molecular formula C9H14F5NO2S and a molecular weight of 295.27 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide
PubChem CID129294893
Molecular FormulaC9H14F5NO2S
Molecular Weight295.27 g/mol
Exact Mass295.07
IUPAC NameN-(cyclohexylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESO=S(=O)(NCC1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H14F5NO2S/c10-8(11,12)9(13,14)18(16,17)15-6-7-4-2-1-3-5-7/h7,15H,1-6H2
InChIKeyOEXMWDORPZLEDJ-UHFFFAOYSA-N
XLogP2.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 52.64
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-(cyclohexylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide (CID 129294893) is N-(cyclohexylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide is O=S(=O)(NCC1CCCCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(cyclohexylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide?
The InChIKey is OEXMWDORPZLEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F5NO2S/c10-8(11,12)9(13,14)18(16,17)15-6-7-4-2-1-3-5-7/h7,15H,1-6H2.
What are the key properties of N-(cyclohexylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide?
N-(cyclohexylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide has a molecular weight of 295.27 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide is sourced from PubChem (CID 129294893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).