N-butyl-N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide

C15H28F5NO3S — CID 18736073

IUPACN-butyl-N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide
SMILESCCCCN(CCC(C)(C)C)S(=O)(=O)CCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C15H28F5NO3S/c1-5-6-8-21(9-7-13(2,3)4)25(22,23)11-10-24-12-14(16,17)15(18,19)20/h5-12H2,1-4H3
InChIKeyUGLSQQJEOSOPTL-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.07
Rot. Bonds11

About N-butyl-N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide

N-butyl-N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide (PubChem CID 18736073) has the molecular formula C15H28F5NO3S and a molecular weight of 397.45 g/mol. Its IUPAC name is N-butyl-N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide
PubChem CID18736073
Molecular FormulaC15H28F5NO3S
Molecular Weight397.45 g/mol
Exact Mass397.17
IUPAC NameN-butyl-N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide
SMILESCCCCN(CCC(C)(C)C)S(=O)(=O)CCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C15H28F5NO3S/c1-5-6-8-21(9-7-13(2,3)4)25(22,23)11-10-24-12-14(16,17)15(18,19)20/h5-12H2,1-4H3
InChIKeyUGLSQQJEOSOPTL-UHFFFAOYSA-N
XLogP4.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.07
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide?
The IUPAC name of N-butyl-N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide (CID 18736073) is N-butyl-N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide.
What is the SMILES notation for N-butyl-N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide?
The canonical SMILES for N-butyl-N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide is CCCCN(CCC(C)(C)C)S(=O)(=O)CCOCC(F)(F)C(F)(F)F.
What is the InChIKey of N-butyl-N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide?
The InChIKey is UGLSQQJEOSOPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F5NO3S/c1-5-6-8-21(9-7-13(2,3)4)25(22,23)11-10-24-12-14(16,17)15(18,19)20/h5-12H2,1-4H3.
What are the key properties of N-butyl-N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide?
N-butyl-N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide has a molecular weight of 397.45 g/mol, XLogP of 4.07, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonamide is sourced from PubChem (CID 18736073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).