N-(3,3-difluorocyclobutyl)methanesulfonamide

C5H9F2NO2S — CID 22500956

IUPACN-(3,3-difluorocyclobutyl)methanesulfonamide
SMILESCS(=O)(=O)NC1CC(F)(F)C1
InChIInChI=1S/C5H9F2NO2S/c1-11(9,10)8-4-2-5(6,7)3-4/h4,8H,2-3H2,1H3
InChIKeyPMBNYYUZOMOWDQ-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.33
Rot. Bonds2

About N-(3,3-difluorocyclobutyl)methanesulfonamide

N-(3,3-difluorocyclobutyl)methanesulfonamide (PubChem CID 22500956) has the molecular formula C5H9F2NO2S and a molecular weight of 185.19 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)methanesulfonamide
PubChem CID22500956
Molecular FormulaC5H9F2NO2S
Molecular Weight185.19 g/mol
Exact Mass185.03
IUPAC NameN-(3,3-difluorocyclobutyl)methanesulfonamide
SMILESCS(=O)(=O)NC1CC(F)(F)C1
InChIInChI=1S/C5H9F2NO2S/c1-11(9,10)8-4-2-5(6,7)3-4/h4,8H,2-3H2,1H3
InChIKeyPMBNYYUZOMOWDQ-UHFFFAOYSA-N
XLogP0.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.33
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-pentan-3-ylmethanesulfonamide
CID 166445234
1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide
CID 166446328
N-butan-2-yl-1,1,1-trifluoromethanesulfonamide
CID 14663477
Isopropyl(trifluoromethylsulfonyl)amine
CID 22908457
N-cyclobutyl-1,1,1-trifluoromethanesulfonamide
CID 23208885
1,1-difluoro-N-propylmethanesulfonamide
CID 43258994
2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide
CID 58525236
2,2,2-trifluoro-N-propan-2-ylethanesulfonamide
CID 59302447
1,1-difluoro-N-propan-2-ylmethanesulfonamide
CID 64295572
N-(3,3,3-trifluoropropyl)methanesulfonamide
CID 64586125
N-(4,4,4-trifluorobutyl)methanesulfonamide
CID 79040675

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)methanesulfonamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)methanesulfonamide (CID 22500956) is N-(3,3-difluorocyclobutyl)methanesulfonamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)methanesulfonamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)methanesulfonamide is CS(=O)(=O)NC1CC(F)(F)C1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)methanesulfonamide?
The InChIKey is PMBNYYUZOMOWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2S/c1-11(9,10)8-4-2-5(6,7)3-4/h4,8H,2-3H2,1H3.
What are the key properties of N-(3,3-difluorocyclobutyl)methanesulfonamide?
N-(3,3-difluorocyclobutyl)methanesulfonamide has a molecular weight of 185.19 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)methanesulfonamide is sourced from PubChem (CID 22500956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).