N-butyl-N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide

C13H24F5NO2S — CID 18736075

IUPACN-butyl-N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide
SMILESCCCCN(CCC(C)(C)C)S(=O)(=O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C13H24F5NO2S/c1-5-6-8-19(9-7-11(2,3)4)22(20,21)10-12(14,15)13(16,17)18/h5-10H2,1-4H3
InChIKeyWXSOQZKPZOVXAY-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.05
Rot. Bonds8

About N-butyl-N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide

N-butyl-N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide (PubChem CID 18736075) has the molecular formula C13H24F5NO2S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-butyl-N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide
PubChem CID18736075
Molecular FormulaC13H24F5NO2S
Molecular Weight353.40 g/mol
Exact Mass353.14
IUPAC NameN-butyl-N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide
SMILESCCCCN(CCC(C)(C)C)S(=O)(=O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C13H24F5NO2S/c1-5-6-8-19(9-7-11(2,3)4)22(20,21)10-12(14,15)13(16,17)18/h5-10H2,1-4H3
InChIKeyWXSOQZKPZOVXAY-UHFFFAOYSA-N
XLogP4.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
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-butyl-N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide?
The IUPAC name of N-butyl-N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide (CID 18736075) is N-butyl-N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide.
What is the SMILES notation for N-butyl-N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide?
The canonical SMILES for N-butyl-N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide is CCCCN(CCC(C)(C)C)S(=O)(=O)CC(F)(F)C(F)(F)F.
What is the InChIKey of N-butyl-N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide?
The InChIKey is WXSOQZKPZOVXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F5NO2S/c1-5-6-8-19(9-7-11(2,3)4)22(20,21)10-12(14,15)13(16,17)18/h5-10H2,1-4H3.
What are the key properties of N-butyl-N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide?
N-butyl-N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide has a molecular weight of 353.40 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide is sourced from PubChem (CID 18736075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).