N-(dimethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide;hydron

C3H8F3N2O4S2+ — CID 175079418

IUPACN-(dimethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide;hydron
SMILESCN(C)S(=O)(=O)NS(=O)(=O)C(F)(F)F.[H+]
InChIInChI=1S/C3H7F3N2O4S2/c1-8(2)14(11,12)7-13(9,10)3(4,5)6/h7H,1-2H3/p+1
InChIKeyPHMJYFCIUFGZRJ-UHFFFAOYSA-O
MW257.23 g/mol
LogP-0.66
Rot. Bonds3

About N-(dimethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide;hydron

N-(dimethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide;hydron (PubChem CID 175079418) has the molecular formula C3H8F3N2O4S2+ and a molecular weight of 257.23 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide;hydron.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide;hydron
PubChem CID175079418
Molecular FormulaC3H8F3N2O4S2+
Molecular Weight257.23 g/mol
Exact Mass256.99
IUPAC NameN-(dimethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide;hydron
SMILESCN(C)S(=O)(=O)NS(=O)(=O)C(F)(F)F.[H+]
InChIInChI=1S/C3H7F3N2O4S2/c1-8(2)14(11,12)7-13(9,10)3(4,5)6/h7H,1-2H3/p+1
InChIKeyPHMJYFCIUFGZRJ-UHFFFAOYSA-O
XLogP-0.66
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 131725280
N-methylmethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171932401
copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 161328389
copper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate
CID 175971884
2-(dimethylamino)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 72943323
N-[bis(2-methoxyethyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide
CID 177461393
nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175845377
ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175259089
2-methyl-N-(trifluoromethylsulfonyl)but-3-ene-2-sulfonamide
CID 123826601
1H-pyrrole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 172749871
[dimethylamino(propylsulfanyl)methylidene]-dimethylazanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 159351966
N-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-1,1,1-trifluoromethanesulfonamide
CID 20577524

Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide;hydron?
The IUPAC name of N-(dimethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide;hydron (CID 175079418) is N-(dimethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide;hydron.
What is the SMILES notation for N-(dimethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide;hydron?
The canonical SMILES for N-(dimethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide;hydron is CN(C)S(=O)(=O)NS(=O)(=O)C(F)(F)F.[H+].
What is the InChIKey of N-(dimethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide;hydron?
The InChIKey is PHMJYFCIUFGZRJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7F3N2O4S2/c1-8(2)14(11,12)7-13(9,10)3(4,5)6/h7H,1-2H3/p+1.
What are the key properties of N-(dimethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide;hydron?
N-(dimethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide;hydron has a molecular weight of 257.23 g/mol, XLogP of -0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide;hydron is sourced from PubChem (CID 175079418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).