N,N-dibutyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide

C13H24F5NO3S — CID 89281515

IUPACN,N-dibutyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C13H24F5NO3S/c1-3-5-7-19(8-6-4-2)23(20,21)10-9-22-11-12(14,15)13(16,17)18/h3-11H2,1-2H3
InChIKeyODDOSVMZQJBPDK-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.43
Rot. Bonds12

About N,N-dibutyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide

N,N-dibutyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide (PubChem CID 89281515) has the molecular formula C13H24F5NO3S and a molecular weight of 369.40 g/mol. Its IUPAC name is N,N-dibutyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide
PubChem CID89281515
Molecular FormulaC13H24F5NO3S
Molecular Weight369.40 g/mol
Exact Mass369.14
IUPAC NameN,N-dibutyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C13H24F5NO3S/c1-3-5-7-19(8-6-4-2)23(20,21)10-9-22-11-12(14,15)13(16,17)18/h3-11H2,1-2H3
InChIKeyODDOSVMZQJBPDK-UHFFFAOYSA-N
XLogP3.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 18735449
CID 18735449
CID 18735450
CID 18735450
CID 18735451
CID 18735451
CID 18735740
CID 18735740
CID 18735819
CID 18735819
CID 18735820
CID 18735820
CID 18735826
CID 18735826
CID 18735827
CID 18735827
CID 18735833
CID 18735833
CID 18736025
CID 18736025
CID 18736072
CID 18736072
CID 18736073
CID 18736073

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide?
The IUPAC name of N,N-dibutyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide (CID 89281515) is N,N-dibutyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide.
What is the SMILES notation for N,N-dibutyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide?
The canonical SMILES for N,N-dibutyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide is CCCCN(CCCC)S(=O)(=O)CCOCC(F)(F)C(F)(F)F.
What is the InChIKey of N,N-dibutyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide?
The InChIKey is ODDOSVMZQJBPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F5NO3S/c1-3-5-7-19(8-6-4-2)23(20,21)10-9-22-11-12(14,15)13(16,17)18/h3-11H2,1-2H3.
What are the key properties of N,N-dibutyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide?
N,N-dibutyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide has a molecular weight of 369.40 g/mol, XLogP of 3.43, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide is sourced from PubChem (CID 89281515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).