N-(1,1,1-trifluoro-3-methylbutan-2-yl)ethanesulfonamide

C7H14F3NO2S — CID 87159546

IUPACN-(1,1,1-trifluoro-3-methylbutan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(C(C)C)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-4-14(12,13)11-6(5(2)3)7(8,9)10/h5-6,11H,4H2,1-3H3
InChIKeyVJRLPSSJNKYGAY-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.51
Rot. Bonds4

About N-(1,1,1-trifluoro-3-methylbutan-2-yl)ethanesulfonamide

N-(1,1,1-trifluoro-3-methylbutan-2-yl)ethanesulfonamide (PubChem CID 87159546) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-3-methylbutan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-3-methylbutan-2-yl)ethanesulfonamide
PubChem CID87159546
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC NameN-(1,1,1-trifluoro-3-methylbutan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(C(C)C)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-4-14(12,13)11-6(5(2)3)7(8,9)10/h5-6,11H,4H2,1-3H3
InChIKeyVJRLPSSJNKYGAY-UHFFFAOYSA-N
XLogP1.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1,1,1-trifluoro-3-methylbutan-2-yl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-3-methylbutan-2-yl)ethanesulfonamide?
The IUPAC name of N-(1,1,1-trifluoro-3-methylbutan-2-yl)ethanesulfonamide (CID 87159546) is N-(1,1,1-trifluoro-3-methylbutan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(1,1,1-trifluoro-3-methylbutan-2-yl)ethanesulfonamide?
The canonical SMILES for N-(1,1,1-trifluoro-3-methylbutan-2-yl)ethanesulfonamide is CCS(=O)(=O)NC(C(C)C)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-3-methylbutan-2-yl)ethanesulfonamide?
The InChIKey is VJRLPSSJNKYGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-4-14(12,13)11-6(5(2)3)7(8,9)10/h5-6,11H,4H2,1-3H3.
What are the key properties of N-(1,1,1-trifluoro-3-methylbutan-2-yl)ethanesulfonamide?
N-(1,1,1-trifluoro-3-methylbutan-2-yl)ethanesulfonamide has a molecular weight of 233.25 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-3-methylbutan-2-yl)ethanesulfonamide is sourced from PubChem (CID 87159546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).