N-(cyclohexylmethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

C11H14F9NO2S — CID 129294877

IUPACN-(cyclohexylmethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESO=S(=O)(NCC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F9NO2S/c12-8(13,10(16,17)18)9(14,15)11(19,20)24(22,23)21-6-7-4-2-1-3-5-7/h7,21H,1-6H2
InChIKeyXPYBJJYBIMZERS-UHFFFAOYSA-N
MW395.29 g/mol
LogP3.91
Rot. Bonds6

About N-(cyclohexylmethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

N-(cyclohexylmethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (PubChem CID 129294877) has the molecular formula C11H14F9NO2S and a molecular weight of 395.29 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
PubChem CID129294877
Molecular FormulaC11H14F9NO2S
Molecular Weight395.29 g/mol
Exact Mass395.06
IUPAC NameN-(cyclohexylmethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESO=S(=O)(NCC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F9NO2S/c12-8(13,10(16,17)18)9(14,15)11(19,20)24(22,23)21-6-7-4-2-1-3-5-7/h7,21H,1-6H2
InChIKeyXPYBJJYBIMZERS-UHFFFAOYSA-N
XLogP3.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.91
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)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (CID 129294877) is N-(cyclohexylmethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is O=S(=O)(NCC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(cyclohexylmethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The InChIKey is XPYBJJYBIMZERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F9NO2S/c12-8(13,10(16,17)18)9(14,15)11(19,20)24(22,23)21-6-7-4-2-1-3-5-7/h7,21H,1-6H2.
What are the key properties of N-(cyclohexylmethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
N-(cyclohexylmethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide has a molecular weight of 395.29 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is sourced from PubChem (CID 129294877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).