N,N-dibutyl-2,2,3,3,3-pentafluoropropane-1-sulfonamide

C11H20F5NO2S — CID 89281454

IUPACN,N-dibutyl-2,2,3,3,3-pentafluoropropane-1-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C11H20F5NO2S/c1-3-5-7-17(8-6-4-2)20(18,19)9-10(12,13)11(14,15)16/h3-9H2,1-2H3
InChIKeySBQMGYMCTFMKDG-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.42
Rot. Bonds9

About N,N-dibutyl-2,2,3,3,3-pentafluoropropane-1-sulfonamide

N,N-dibutyl-2,2,3,3,3-pentafluoropropane-1-sulfonamide (PubChem CID 89281454) has the molecular formula C11H20F5NO2S and a molecular weight of 325.34 g/mol. Its IUPAC name is N,N-dibutyl-2,2,3,3,3-pentafluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-2,2,3,3,3-pentafluoropropane-1-sulfonamide
PubChem CID89281454
Molecular FormulaC11H20F5NO2S
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC NameN,N-dibutyl-2,2,3,3,3-pentafluoropropane-1-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C11H20F5NO2S/c1-3-5-7-17(8-6-4-2)20(18,19)9-10(12,13)11(14,15)16/h3-9H2,1-2H3
InChIKeySBQMGYMCTFMKDG-UHFFFAOYSA-N
XLogP3.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.42
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,N-dibutyl-2,2,3,3,3-pentafluoropropane-1-sulfonamide?
The IUPAC name of N,N-dibutyl-2,2,3,3,3-pentafluoropropane-1-sulfonamide (CID 89281454) is N,N-dibutyl-2,2,3,3,3-pentafluoropropane-1-sulfonamide.
What is the SMILES notation for N,N-dibutyl-2,2,3,3,3-pentafluoropropane-1-sulfonamide?
The canonical SMILES for N,N-dibutyl-2,2,3,3,3-pentafluoropropane-1-sulfonamide is CCCCN(CCCC)S(=O)(=O)CC(F)(F)C(F)(F)F.
What is the InChIKey of N,N-dibutyl-2,2,3,3,3-pentafluoropropane-1-sulfonamide?
The InChIKey is SBQMGYMCTFMKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F5NO2S/c1-3-5-7-17(8-6-4-2)20(18,19)9-10(12,13)11(14,15)16/h3-9H2,1-2H3.
What are the key properties of N,N-dibutyl-2,2,3,3,3-pentafluoropropane-1-sulfonamide?
N,N-dibutyl-2,2,3,3,3-pentafluoropropane-1-sulfonamide has a molecular weight of 325.34 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2,2,3,3,3-pentafluoropropane-1-sulfonamide is sourced from PubChem (CID 89281454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).