N-(4,4,4-trifluoro-3,3-dimethylbutyl)cyclopropanesulfonamide

C9H16F3NO2S — CID 100744465

IUPACN-(4,4,4-trifluoro-3,3-dimethylbutyl)cyclopropanesulfonamide
SMILESCC(C)(CCNS(=O)(=O)C1CC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c1-8(2,9(10,11)12)5-6-13-16(14,15)7-3-4-7/h7,13H,3-6H2,1-2H3
InChIKeyIOBUCTUUQCUQJD-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.05
Rot. Bonds5

About N-(4,4,4-trifluoro-3,3-dimethylbutyl)cyclopropanesulfonamide

N-(4,4,4-trifluoro-3,3-dimethylbutyl)cyclopropanesulfonamide (PubChem CID 100744465) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is N-(4,4,4-trifluoro-3,3-dimethylbutyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(4,4,4-trifluoro-3,3-dimethylbutyl)cyclopropanesulfonamide
PubChem CID100744465
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC NameN-(4,4,4-trifluoro-3,3-dimethylbutyl)cyclopropanesulfonamide
SMILESCC(C)(CCNS(=O)(=O)C1CC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c1-8(2,9(10,11)12)5-6-13-16(14,15)7-3-4-7/h7,13H,3-6H2,1-2H3
InChIKeyIOBUCTUUQCUQJD-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluoro-3,3-dimethylbutyl)cyclopropanesulfonamide?
The IUPAC name of N-(4,4,4-trifluoro-3,3-dimethylbutyl)cyclopropanesulfonamide (CID 100744465) is N-(4,4,4-trifluoro-3,3-dimethylbutyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(4,4,4-trifluoro-3,3-dimethylbutyl)cyclopropanesulfonamide?
The canonical SMILES for N-(4,4,4-trifluoro-3,3-dimethylbutyl)cyclopropanesulfonamide is CC(C)(CCNS(=O)(=O)C1CC1)C(F)(F)F.
What is the InChIKey of N-(4,4,4-trifluoro-3,3-dimethylbutyl)cyclopropanesulfonamide?
The InChIKey is IOBUCTUUQCUQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c1-8(2,9(10,11)12)5-6-13-16(14,15)7-3-4-7/h7,13H,3-6H2,1-2H3.
What are the key properties of N-(4,4,4-trifluoro-3,3-dimethylbutyl)cyclopropanesulfonamide?
N-(4,4,4-trifluoro-3,3-dimethylbutyl)cyclopropanesulfonamide has a molecular weight of 259.29 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluoro-3,3-dimethylbutyl)cyclopropanesulfonamide is sourced from PubChem (CID 100744465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).