2-(dimethylsulfamoyl)-2,2-difluoro-N,N-dimethylacetamide

C6H12F2N2O3S — CID 121234956

IUPAC2-(dimethylsulfamoyl)-2,2-difluoro-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(F)(F)S(=O)(=O)N(C)C
InChIInChI=1S/C6H12F2N2O3S/c1-9(2)5(11)6(7,8)14(12,13)10(3)4/h1-4H3
InChIKeyWLHIHKNNIGGGND-UHFFFAOYSA-N
MW230.24 g/mol
LogP-0.44
Rot. Bonds3

About 2-(dimethylsulfamoyl)-2,2-difluoro-N,N-dimethylacetamide

2-(dimethylsulfamoyl)-2,2-difluoro-N,N-dimethylacetamide (PubChem CID 121234956) has the molecular formula C6H12F2N2O3S and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-(dimethylsulfamoyl)-2,2-difluoro-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(dimethylsulfamoyl)-2,2-difluoro-N,N-dimethylacetamide
PubChem CID121234956
Molecular FormulaC6H12F2N2O3S
Molecular Weight230.24 g/mol
Exact Mass230.05
IUPAC Name2-(dimethylsulfamoyl)-2,2-difluoro-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(F)(F)S(=O)(=O)N(C)C
InChIInChI=1S/C6H12F2N2O3S/c1-9(2)5(11)6(7,8)14(12,13)10(3)4/h1-4H3
InChIKeyWLHIHKNNIGGGND-UHFFFAOYSA-N
XLogP-0.44
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,2,2-tetramethylpropanamide;trifluoromethanesulfonic acid
CID 158997566
1,1-difluoro-N,N-dimethyl-1-(trioxidanylsulfanyl)methanesulfonamide
CID 59833728
2,2,2-tris(dimethylamino)-N,N-dimethylacetamide
CID 87823120
1,1,1-trifluoro-N-methyl-N-propa-1,2-dienylmethanesulfonamide
CID 139243670
N-methyl-N-(trifluoromethyl)methanesulfonamide
CID 172820262
N,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate
CID 171924337
2,2-dibromo-2-cyano-N,N-dimethylacetamide
CID 12746014
N-(dimethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide;hydron
CID 175079418
6-(dimethylamino)-6,6-difluoro-2-methylhex-4-yn-3-one
CID 158229007
2-fluoro-2-fluorosulfonylpropanoic acid
CID 139448801
N,N-dimethylmethanamine;silicic acid;trifluoromethanesulfonic acid
CID 174409588
2,2-diethyl-N,N,N',N'-tetramethylpropanediamide
CID 551840

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoyl)-2,2-difluoro-N,N-dimethylacetamide?
The IUPAC name of 2-(dimethylsulfamoyl)-2,2-difluoro-N,N-dimethylacetamide (CID 121234956) is 2-(dimethylsulfamoyl)-2,2-difluoro-N,N-dimethylacetamide.
What is the SMILES notation for 2-(dimethylsulfamoyl)-2,2-difluoro-N,N-dimethylacetamide?
The canonical SMILES for 2-(dimethylsulfamoyl)-2,2-difluoro-N,N-dimethylacetamide is CN(C)C(=O)C(F)(F)S(=O)(=O)N(C)C.
What is the InChIKey of 2-(dimethylsulfamoyl)-2,2-difluoro-N,N-dimethylacetamide?
The InChIKey is WLHIHKNNIGGGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O3S/c1-9(2)5(11)6(7,8)14(12,13)10(3)4/h1-4H3.
What are the key properties of 2-(dimethylsulfamoyl)-2,2-difluoro-N,N-dimethylacetamide?
2-(dimethylsulfamoyl)-2,2-difluoro-N,N-dimethylacetamide has a molecular weight of 230.24 g/mol, XLogP of -0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoyl)-2,2-difluoro-N,N-dimethylacetamide is sourced from PubChem (CID 121234956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).