N-(2,2-difluorobutyl)methanesulfonamide

C5H11F2NO2S — CID 88582330

IUPACN-(2,2-difluorobutyl)methanesulfonamide
SMILESCCC(F)(F)CNS(C)(=O)=O
InChIInChI=1S/C5H11F2NO2S/c1-3-5(6,7)4-8-11(2,9)10/h8H,3-4H2,1-2H3
InChIKeyHAPBCEIMZJRNDI-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.58
Rot. Bonds4

About N-(2,2-difluorobutyl)methanesulfonamide

N-(2,2-difluorobutyl)methanesulfonamide (PubChem CID 88582330) has the molecular formula C5H11F2NO2S and a molecular weight of 187.21 g/mol. Its IUPAC name is N-(2,2-difluorobutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluorobutyl)methanesulfonamide
PubChem CID88582330
Molecular FormulaC5H11F2NO2S
Molecular Weight187.21 g/mol
Exact Mass187.05
IUPAC NameN-(2,2-difluorobutyl)methanesulfonamide
SMILESCCC(F)(F)CNS(C)(=O)=O
InChIInChI=1S/C5H11F2NO2S/c1-3-5(6,7)4-8-11(2,9)10/h8H,3-4H2,1-2H3
InChIKeyHAPBCEIMZJRNDI-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Butyl-1,1,1-trifluoromethanesulfonamide
CID 20566739
1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
1,1,1-trifluoro-N-hexylmethanesulfonamide
CID 58427693
1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide
CID 58427695
1,1,1-Trifluoro-N-(2-methylbutyl)methanesulfonamide
CID 72183447
4-Trifluoromethanesulfonamido-1-butylamine
CID 11276038
N-butan-2-yl-1,1,1-trifluoromethanesulfonamide
CID 14663477
N-(2,2-difluoropropyl)methanesulfonamide
CID 18686371
N-(2-fluoropropyl)methanesulfonamide
CID 18686378
N-(2,2,2-trifluoroethyl)butane-2-sulfonamide
CID 21029736
Propylazanium;trifluoromethanesulfonate
CID 21654999
n-(3,3-Difluoro-cyclobutyl)-methanesulfonamide
CID 22500956

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorobutyl)methanesulfonamide?
The IUPAC name of N-(2,2-difluorobutyl)methanesulfonamide (CID 88582330) is N-(2,2-difluorobutyl)methanesulfonamide.
What is the SMILES notation for N-(2,2-difluorobutyl)methanesulfonamide?
The canonical SMILES for N-(2,2-difluorobutyl)methanesulfonamide is CCC(F)(F)CNS(C)(=O)=O.
What is the InChIKey of N-(2,2-difluorobutyl)methanesulfonamide?
The InChIKey is HAPBCEIMZJRNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO2S/c1-3-5(6,7)4-8-11(2,9)10/h8H,3-4H2,1-2H3.
What are the key properties of N-(2,2-difluorobutyl)methanesulfonamide?
N-(2,2-difluorobutyl)methanesulfonamide has a molecular weight of 187.21 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorobutyl)methanesulfonamide is sourced from PubChem (CID 88582330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).