N-[2-(diethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

C11H17F9N2O2S — CID 154928654

IUPACN-[2-(diethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESCCN(CC)C(C)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H17F9N2O2S/c1-4-22(5-2)7(3)6-21-25(23,24)11(19,20)9(14,15)8(12,13)10(16,17)18/h7,21H,4-6H2,1-3H3
InChIKeyDCMXSERVXDHKOE-UHFFFAOYSA-N
MW412.32 g/mol
LogP3.06
Rot. Bonds9

About N-[2-(diethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

N-[2-(diethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (PubChem CID 154928654) has the molecular formula C11H17F9N2O2S and a molecular weight of 412.32 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
PubChem CID154928654
Molecular FormulaC11H17F9N2O2S
Molecular Weight412.32 g/mol
Exact Mass412.09
IUPAC NameN-[2-(diethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESCCN(CC)C(C)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H17F9N2O2S/c1-4-22(5-2)7(3)6-21-25(23,24)11(19,20)9(14,15)8(12,13)10(16,17)18/h7,21H,4-6H2,1-3H3
InChIKeyDCMXSERVXDHKOE-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(diethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The IUPAC name of N-[2-(diethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (CID 154928654) is N-[2-(diethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is CCN(CC)C(C)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[2-(diethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The InChIKey is DCMXSERVXDHKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F9N2O2S/c1-4-22(5-2)7(3)6-21-25(23,24)11(19,20)9(14,15)8(12,13)10(16,17)18/h7,21H,4-6H2,1-3H3.
What are the key properties of N-[2-(diethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
N-[2-(diethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide has a molecular weight of 412.32 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is sourced from PubChem (CID 154928654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).