N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide

C6H13F2NO2S — CID 118423364

IUPACN-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC(F)F
InChIInChI=1S/C6H13F2NO2S/c1-6(2,3)12(10,11)9-4-5(7)8/h5,9H,4H2,1-3H3
InChIKeyRQIROBIBXSZFFK-UHFFFAOYSA-N
MW201.24 g/mol
LogP0.97
Rot. Bonds3

About N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide

N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide (PubChem CID 118423364) has the molecular formula C6H13F2NO2S and a molecular weight of 201.24 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide
PubChem CID118423364
Molecular FormulaC6H13F2NO2S
Molecular Weight201.24 g/mol
Exact Mass201.06
IUPAC NameN-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC(F)F
InChIInChI=1S/C6H13F2NO2S/c1-6(2,3)12(10,11)9-4-5(7)8/h5,9H,4H2,1-3H3
InChIKeyRQIROBIBXSZFFK-UHFFFAOYSA-N
XLogP0.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl perfluorobutanesulfonamide
CID 14661392
N-Ethyl perfluoropentane sulfonamide
CID 19931110
N-Butyl-perfluorobutanesulfonamide
CID 86068657
N-Butyl-1,1,1-trifluoromethanesulfonamide
CID 20566739
1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
Propyl perfluorohexane sulfonamide
CID 19931112
1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide
CID 58427695
N-Ethylperfluoroethanesulfonamide
CID 44717412
N-ethyl perfluoropropane sulfonamide
CID 129294817
1,1,1-Trifluoro-N-(2-methylbutyl)methanesulfonamide
CID 72183447
N-butan-2-yl-1,1,1-trifluoromethanesulfonamide
CID 14663477
N-(2,2-difluoropropyl)methanesulfonamide
CID 18686371

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide (CID 118423364) is N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide?
The InChIKey is RQIROBIBXSZFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO2S/c1-6(2,3)12(10,11)9-4-5(7)8/h5,9H,4H2,1-3H3.
What are the key properties of N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide?
N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide has a molecular weight of 201.24 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 118423364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).