N-butyl-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide

C11H22F3NO2S — CID 89281475

IUPACN-butyl-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide
SMILESCCCCN(CC(C)C)S(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C11H22F3NO2S/c1-4-5-7-15(9-10(2)3)18(16,17)8-6-11(12,13)14/h10H,4-9H2,1-3H3
InChIKeyOFPRRIOQSONWBW-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.03
Rot. Bonds8

About N-butyl-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide

N-butyl-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide (PubChem CID 89281475) has the molecular formula C11H22F3NO2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-butyl-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide
PubChem CID89281475
Molecular FormulaC11H22F3NO2S
Molecular Weight289.36 g/mol
Exact Mass289.13
IUPAC NameN-butyl-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide
SMILESCCCCN(CC(C)C)S(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C11H22F3NO2S/c1-4-5-7-15(9-10(2)3)18(16,17)8-6-11(12,13)14/h10H,4-9H2,1-3H3
InChIKeyOFPRRIOQSONWBW-UHFFFAOYSA-N
XLogP3.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dibutylethanesulfonamide
CID 303050
4,4-Difluoro-1-(isobutylsulfonyl)piperidine
CID 121184679
N,N-dibutyl-1,1,1-trifluoromethanesulfonamide
CID 17752786
N-(3,3-dimethylbutyl)-2,2,2-trifluoro-N-propylethanesulfonamide
CID 18735741
N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propane-1-sulfonamide
CID 18735743
N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-propylpropane-1-sulfonamide
CID 18735745
N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide
CID 18735753
N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide
CID 18735754
N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide
CID 18735755
N-(3,3-dimethylbutyl)-3,3-difluoro-N-propylpropane-1-sulfonamide
CID 18735756
N-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
CID 18735762
N-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
CID 18735763

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide?
The IUPAC name of N-butyl-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide (CID 89281475) is N-butyl-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide.
What is the SMILES notation for N-butyl-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide?
The canonical SMILES for N-butyl-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide is CCCCN(CC(C)C)S(=O)(=O)CCC(F)(F)F.
What is the InChIKey of N-butyl-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide?
The InChIKey is OFPRRIOQSONWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2S/c1-4-5-7-15(9-10(2)3)18(16,17)8-6-11(12,13)14/h10H,4-9H2,1-3H3.
What are the key properties of N-butyl-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide?
N-butyl-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide has a molecular weight of 289.36 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 89281475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).