N,N-dibutyl-3-fluoropropane-1-sulfonamide

C11H24FNO2S — CID 89281484

IUPACN,N-dibutyl-3-fluoropropane-1-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CCCF
InChIInChI=1S/C11H24FNO2S/c1-3-5-9-13(10-6-4-2)16(14,15)11-7-8-12/h3-11H2,1-2H3
InChIKeyNSSXVCIARRYKLC-UHFFFAOYSA-N
MW253.38 g/mol
LogP2.58
Rot. Bonds10

About N,N-dibutyl-3-fluoropropane-1-sulfonamide

N,N-dibutyl-3-fluoropropane-1-sulfonamide (PubChem CID 89281484) has the molecular formula C11H24FNO2S and a molecular weight of 253.38 g/mol. Its IUPAC name is N,N-dibutyl-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-3-fluoropropane-1-sulfonamide
PubChem CID89281484
Molecular FormulaC11H24FNO2S
Molecular Weight253.38 g/mol
Exact Mass253.15
IUPAC NameN,N-dibutyl-3-fluoropropane-1-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CCCF
InChIInChI=1S/C11H24FNO2S/c1-3-5-9-13(10-6-4-2)16(14,15)11-7-8-12/h3-11H2,1-2H3
InChIKeyNSSXVCIARRYKLC-UHFFFAOYSA-N
XLogP2.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-fluoropropane-1-sulfonamide?
The IUPAC name of N,N-dibutyl-3-fluoropropane-1-sulfonamide (CID 89281484) is N,N-dibutyl-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N,N-dibutyl-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N,N-dibutyl-3-fluoropropane-1-sulfonamide is CCCCN(CCCC)S(=O)(=O)CCCF.
What is the InChIKey of N,N-dibutyl-3-fluoropropane-1-sulfonamide?
The InChIKey is NSSXVCIARRYKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FNO2S/c1-3-5-9-13(10-6-4-2)16(14,15)11-7-8-12/h3-11H2,1-2H3.
What are the key properties of N,N-dibutyl-3-fluoropropane-1-sulfonamide?
N,N-dibutyl-3-fluoropropane-1-sulfonamide has a molecular weight of 253.38 g/mol, XLogP of 2.58, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 89281484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).