N-butyl-4,4,4-trifluoro-N-propylbutane-1-sulfonamide

C11H22F3NO2S — CID 89281508

IUPACN-butyl-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
SMILESCCCCN(CCC)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H22F3NO2S/c1-3-5-9-15(8-4-2)18(16,17)10-6-7-11(12,13)14/h3-10H2,1-2H3
InChIKeyGQRWDZUPNFKWMT-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.17
Rot. Bonds9

About N-butyl-4,4,4-trifluoro-N-propylbutane-1-sulfonamide

N-butyl-4,4,4-trifluoro-N-propylbutane-1-sulfonamide (PubChem CID 89281508) has the molecular formula C11H22F3NO2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-butyl-4,4,4-trifluoro-N-propylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
PubChem CID89281508
Molecular FormulaC11H22F3NO2S
Molecular Weight289.36 g/mol
Exact Mass289.13
IUPAC NameN-butyl-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
SMILESCCCCN(CCC)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H22F3NO2S/c1-3-5-9-15(8-4-2)18(16,17)10-6-7-11(12,13)14/h3-10H2,1-2H3
InChIKeyGQRWDZUPNFKWMT-UHFFFAOYSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
The IUPAC name of N-butyl-4,4,4-trifluoro-N-propylbutane-1-sulfonamide (CID 89281508) is N-butyl-4,4,4-trifluoro-N-propylbutane-1-sulfonamide.
What is the SMILES notation for N-butyl-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
The canonical SMILES for N-butyl-4,4,4-trifluoro-N-propylbutane-1-sulfonamide is CCCCN(CCC)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-butyl-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
The InChIKey is GQRWDZUPNFKWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2S/c1-3-5-9-15(8-4-2)18(16,17)10-6-7-11(12,13)14/h3-10H2,1-2H3.
What are the key properties of N-butyl-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
N-butyl-4,4,4-trifluoro-N-propylbutane-1-sulfonamide has a molecular weight of 289.36 g/mol, XLogP of 3.17, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4,4,4-trifluoro-N-propylbutane-1-sulfonamide is sourced from PubChem (CID 89281508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).