N-(2-ethylbutyl)-1,1-difluoromethanesulfonamide

C7H15F2NO2S — CID 115613325

IUPACN-(2-ethylbutyl)-1,1-difluoromethanesulfonamide
SMILESCCC(CC)CNS(=O)(=O)C(F)F
InChIInChI=1S/C7H15F2NO2S/c1-3-6(4-2)5-10-13(11,12)7(8)9/h6-7,10H,3-5H2,1-2H3
InChIKeyPYLATALUAVDWCU-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.56
Rot. Bonds6

About N-(2-ethylbutyl)-1,1-difluoromethanesulfonamide

N-(2-ethylbutyl)-1,1-difluoromethanesulfonamide (PubChem CID 115613325) has the molecular formula C7H15F2NO2S and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(2-ethylbutyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-1,1-difluoromethanesulfonamide
PubChem CID115613325
Molecular FormulaC7H15F2NO2S
Molecular Weight215.26 g/mol
Exact Mass215.08
IUPAC NameN-(2-ethylbutyl)-1,1-difluoromethanesulfonamide
SMILESCCC(CC)CNS(=O)(=O)C(F)F
InChIInChI=1S/C7H15F2NO2S/c1-3-6(4-2)5-10-13(11,12)7(8)9/h6-7,10H,3-5H2,1-2H3
InChIKeyPYLATALUAVDWCU-UHFFFAOYSA-N
XLogP1.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide
CID 58427695
1,1,1-Trifluoro-N-(2-methylbutyl)methanesulfonamide
CID 72183447
1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide
CID 101913204
(s)-2-Methylbutylammonium triflate
CID 129750872
1,1,1-trifluoro-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 176436281
N-(2,2-difluoro-3,3-dimethylbutyl)methanesulfonamide
CID 58044349
N-(3,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide
CID 58468956
1,1-difluoro-N-(2-methylpropyl)methanesulfonamide
CID 62735181
N-(4,4,4-trifluorobutyl)methanesulfonamide
CID 79040675
1,1-difluoro-N-pentylmethanesulfonamide
CID 88766737
N-butyl-1,1-difluoromethanesulfonamide
CID 89432881
1,1,1-Trifluoro-N-isopentylmethanesulfonamide
CID 118301710

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-ethylbutyl)-1,1-difluoromethanesulfonamide (CID 115613325) is N-(2-ethylbutyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-ethylbutyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-ethylbutyl)-1,1-difluoromethanesulfonamide is CCC(CC)CNS(=O)(=O)C(F)F.
What is the InChIKey of N-(2-ethylbutyl)-1,1-difluoromethanesulfonamide?
The InChIKey is PYLATALUAVDWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO2S/c1-3-6(4-2)5-10-13(11,12)7(8)9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of N-(2-ethylbutyl)-1,1-difluoromethanesulfonamide?
N-(2-ethylbutyl)-1,1-difluoromethanesulfonamide has a molecular weight of 215.26 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 115613325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).