N-cycloheptyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

C11H14F9NO2S — CID 102224999

IUPACN-cycloheptyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESO=S(=O)(NC1CCCCCC1)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)21-7-5-3-1-2-4-6-7/h7,21H,1-6H2
InChIKeyBXTVSJQFLWYTKC-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.05
Rot. Bonds5

About N-cycloheptyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

N-cycloheptyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (PubChem CID 102224999) has the molecular formula C11H14F9NO2S and a molecular weight of 395.29 g/mol. Its IUPAC name is N-cycloheptyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
PubChem CID102224999
Molecular FormulaC11H14F9NO2S
Molecular Weight395.29 g/mol
Exact Mass395.06
IUPAC NameN-cycloheptyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESO=S(=O)(NC1CCCCCC1)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)21-7-5-3-1-2-4-6-7/h7,21H,1-6H2
InChIKeyBXTVSJQFLWYTKC-UHFFFAOYSA-N
XLogP4.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.05
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-cycloheptyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The IUPAC name of N-cycloheptyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (CID 102224999) is N-cycloheptyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.
What is the SMILES notation for N-cycloheptyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The canonical SMILES for N-cycloheptyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is O=S(=O)(NC1CCCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-cycloheptyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The InChIKey is BXTVSJQFLWYTKC-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)21-7-5-3-1-2-4-6-7/h7,21H,1-6H2.
What are the key properties of N-cycloheptyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
N-cycloheptyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide has a molecular weight of 395.29 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is sourced from PubChem (CID 102224999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).