N,N-dibutyl-4,4,4-trifluorobutane-1-sulfonamide

C12H24F3NO2S — CID 89281588

IUPACN,N-dibutyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C12H24F3NO2S/c1-3-5-9-16(10-6-4-2)19(17,18)11-7-8-12(13,14)15/h3-11H2,1-2H3
InChIKeyAFVSEIOZTDRPBD-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.56
Rot. Bonds10

About N,N-dibutyl-4,4,4-trifluorobutane-1-sulfonamide

N,N-dibutyl-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 89281588) has the molecular formula C12H24F3NO2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N,N-dibutyl-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID89281588
Molecular FormulaC12H24F3NO2S
Molecular Weight303.39 g/mol
Exact Mass303.15
IUPAC NameN,N-dibutyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C12H24F3NO2S/c1-3-5-9-16(10-6-4-2)19(17,18)11-7-8-12(13,14)15/h3-11H2,1-2H3
InChIKeyAFVSEIOZTDRPBD-UHFFFAOYSA-N
XLogP3.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N,N-dibutyl-4,4,4-trifluorobutane-1-sulfonamide (CID 89281588) is N,N-dibutyl-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N,N-dibutyl-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N,N-dibutyl-4,4,4-trifluorobutane-1-sulfonamide is CCCCN(CCCC)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N,N-dibutyl-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is AFVSEIOZTDRPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO2S/c1-3-5-9-16(10-6-4-2)19(17,18)11-7-8-12(13,14)15/h3-11H2,1-2H3.
What are the key properties of N,N-dibutyl-4,4,4-trifluorobutane-1-sulfonamide?
N,N-dibutyl-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 303.39 g/mol, XLogP of 3.56, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 89281588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).