N-butan-2-yl-1,1-difluoromethanesulfonamide

C5H11F2NO2S — CID 62732371

IUPACN-butan-2-yl-1,1-difluoromethanesulfonamide
SMILESCCC(C)NS(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2NO2S/c1-3-4(2)8-11(9,10)5(6)7/h4-5,8H,3H2,1-2H3
InChIKeyYAKFELVKXUIYGW-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.93
Rot. Bonds4

About N-butan-2-yl-1,1-difluoromethanesulfonamide

N-butan-2-yl-1,1-difluoromethanesulfonamide (PubChem CID 62732371) has the molecular formula C5H11F2NO2S and a molecular weight of 187.21 g/mol. Its IUPAC name is N-butan-2-yl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-1,1-difluoromethanesulfonamide
PubChem CID62732371
Molecular FormulaC5H11F2NO2S
Molecular Weight187.21 g/mol
Exact Mass187.05
IUPAC NameN-butan-2-yl-1,1-difluoromethanesulfonamide
SMILESCCC(C)NS(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2NO2S/c1-3-4(2)8-11(9,10)5(6)7/h4-5,8H,3H2,1-2H3
InChIKeyYAKFELVKXUIYGW-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(propan-2-yl)methanesulfonamide
CID 312702
N-Butyl-1,1,1-trifluoromethanesulfonamide
CID 20566739
1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide
CID 58427695
N-(4,4-difluorocyclohexyl)methanesulfonamide
CID 57747898
N-cyclopropyl-1,1-difluoromethanesulfonamide
CID 62734621
2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide
CID 119030899
1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide
CID 101913204
1,1,1-trifluoro-N-pentan-3-ylmethanesulfonamide
CID 166445234
1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide
CID 166446328
N-[(2R)-3,3-dimethylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 176436279
1,1,1-trifluoro-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 176436281

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-butan-2-yl-1,1-difluoromethanesulfonamide (CID 62732371) is N-butan-2-yl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-butan-2-yl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-butan-2-yl-1,1-difluoromethanesulfonamide is CCC(C)NS(=O)(=O)C(F)F.
What is the InChIKey of N-butan-2-yl-1,1-difluoromethanesulfonamide?
The InChIKey is YAKFELVKXUIYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO2S/c1-3-4(2)8-11(9,10)5(6)7/h4-5,8H,3H2,1-2H3.
What are the key properties of N-butan-2-yl-1,1-difluoromethanesulfonamide?
N-butan-2-yl-1,1-difluoromethanesulfonamide has a molecular weight of 187.21 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 62732371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).