1,1-difluoro-N-(2-methylpropyl)methanesulfonamide

C5H11F2NO2S — CID 62735181

IUPAC1,1-difluoro-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CNS(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2NO2S/c1-4(2)3-8-11(9,10)5(6)7/h4-5,8H,3H2,1-2H3
InChIKeyVUVZQUANOAQFNI-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.78
Rot. Bonds4

About 1,1-difluoro-N-(2-methylpropyl)methanesulfonamide

1,1-difluoro-N-(2-methylpropyl)methanesulfonamide (PubChem CID 62735181) has the molecular formula C5H11F2NO2S and a molecular weight of 187.21 g/mol. Its IUPAC name is 1,1-difluoro-N-(2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(2-methylpropyl)methanesulfonamide
PubChem CID62735181
Molecular FormulaC5H11F2NO2S
Molecular Weight187.21 g/mol
Exact Mass187.05
IUPAC Name1,1-difluoro-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CNS(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2NO2S/c1-4(2)3-8-11(9,10)5(6)7/h4-5,8H,3H2,1-2H3
InChIKeyVUVZQUANOAQFNI-UHFFFAOYSA-N
XLogP0.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Butyl-1,1,1-trifluoromethanesulfonamide
CID 20566739
N-(2-methylpropyl)methanesulfonamide
CID 4547916
1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
N-(cyclopropylmethyl)-1,1,1-trifluoromethanesulfonamide
CID 11790283
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-butan-2-yl-1,1,1-trifluoromethanesulfonamide
CID 14663477
N-(2,2-difluoropropyl)methanesulfonamide
CID 18686371
N-(2-fluoropropyl)methanesulfonamide
CID 18686378

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(2-methylpropyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(2-methylpropyl)methanesulfonamide (CID 62735181) is 1,1-difluoro-N-(2-methylpropyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(2-methylpropyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(2-methylpropyl)methanesulfonamide is CC(C)CNS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(2-methylpropyl)methanesulfonamide?
The InChIKey is VUVZQUANOAQFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO2S/c1-4(2)3-8-11(9,10)5(6)7/h4-5,8H,3H2,1-2H3.
What are the key properties of 1,1-difluoro-N-(2-methylpropyl)methanesulfonamide?
1,1-difluoro-N-(2-methylpropyl)methanesulfonamide has a molecular weight of 187.21 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 62735181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).