N-(2,2-difluoro-3,3-dimethylbutyl)methanesulfonamide

C7H15F2NO2S — CID 58044349

IUPACN-(2,2-difluoro-3,3-dimethylbutyl)methanesulfonamide
SMILESCC(C)(C)C(F)(F)CNS(C)(=O)=O
InChIInChI=1S/C7H15F2NO2S/c1-6(2,3)7(8,9)5-10-13(4,11)12/h10H,5H2,1-4H3
InChIKeyYNAFTTPUUFCAOV-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.22
Rot. Bonds3

About N-(2,2-difluoro-3,3-dimethylbutyl)methanesulfonamide

N-(2,2-difluoro-3,3-dimethylbutyl)methanesulfonamide (PubChem CID 58044349) has the molecular formula C7H15F2NO2S and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(2,2-difluoro-3,3-dimethylbutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3,3-dimethylbutyl)methanesulfonamide
PubChem CID58044349
Molecular FormulaC7H15F2NO2S
Molecular Weight215.26 g/mol
Exact Mass215.08
IUPAC NameN-(2,2-difluoro-3,3-dimethylbutyl)methanesulfonamide
SMILESCC(C)(C)C(F)(F)CNS(C)(=O)=O
InChIInChI=1S/C7H15F2NO2S/c1-6(2,3)7(8,9)5-10-13(4,11)12/h10H,5H2,1-4H3
InChIKeyYNAFTTPUUFCAOV-UHFFFAOYSA-N
XLogP1.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3,3-dimethylbutyl)methanesulfonamide?
The IUPAC name of N-(2,2-difluoro-3,3-dimethylbutyl)methanesulfonamide (CID 58044349) is N-(2,2-difluoro-3,3-dimethylbutyl)methanesulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3,3-dimethylbutyl)methanesulfonamide?
The canonical SMILES for N-(2,2-difluoro-3,3-dimethylbutyl)methanesulfonamide is CC(C)(C)C(F)(F)CNS(C)(=O)=O.
What is the InChIKey of N-(2,2-difluoro-3,3-dimethylbutyl)methanesulfonamide?
The InChIKey is YNAFTTPUUFCAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO2S/c1-6(2,3)7(8,9)5-10-13(4,11)12/h10H,5H2,1-4H3.
What are the key properties of N-(2,2-difluoro-3,3-dimethylbutyl)methanesulfonamide?
N-(2,2-difluoro-3,3-dimethylbutyl)methanesulfonamide has a molecular weight of 215.26 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3,3-dimethylbutyl)methanesulfonamide is sourced from PubChem (CID 58044349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).