trifluoro-[methyl(sulfamoyl)amino]methane

C2H5F3N2O2S — CID 154188724

IUPACtrifluoro-[methyl(sulfamoyl)amino]methane
SMILESCN(C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C2H5F3N2O2S/c1-7(2(3,4)5)10(6,8)9/h1H3,(H2,6,8,9)
InChIKeyWHFVBEJZUOWWRE-UHFFFAOYSA-N
MW178.13 g/mol
LogP-0.36
Rot. Bonds1

About trifluoro-[methyl(sulfamoyl)amino]methane

trifluoro-[methyl(sulfamoyl)amino]methane (PubChem CID 154188724) has the molecular formula C2H5F3N2O2S and a molecular weight of 178.13 g/mol. Its IUPAC name is trifluoro-[methyl(sulfamoyl)amino]methane.

Molecular Properties

Compound Nametrifluoro-[methyl(sulfamoyl)amino]methane
PubChem CID154188724
Molecular FormulaC2H5F3N2O2S
Molecular Weight178.13 g/mol
Exact Mass178.00
IUPAC Nametrifluoro-[methyl(sulfamoyl)amino]methane
SMILESCN(C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C2H5F3N2O2S/c1-7(2(3,4)5)10(6,8)9/h1H3,(H2,6,8,9)
InChIKeyWHFVBEJZUOWWRE-UHFFFAOYSA-N
XLogP-0.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.13
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(trifluoromethyl)methanesulfonamide
CID 172820262
[methyl(sulfamoyl)amino]methane;hydrochloride
CID 18615116
2-[tert-butyl(sulfamoyl)amino]-2-methylpropane
CID 87575360
azane;bis(trifluoromethanesulfonamide)
CID 171927833
indigane;trifluoromethanesulfonamide
CID 174794253
CID 87103721
CID 87103721
CID 87784182
CID 87784182
N,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate
CID 171924337
N-(dimethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide;hydron
CID 175079418
N,N,2,2-tetramethylpropanamide;trifluoromethanesulfonic acid
CID 158997566
2,2-dimethyl-3-[methyl(sulfamoyl)amino]butane
CID 60745460
calcium;hydride;trifluoromethanesulfonamide
CID 175005756

Frequently Asked Questions

What is the IUPAC name of trifluoro-[methyl(sulfamoyl)amino]methane?
The IUPAC name of trifluoro-[methyl(sulfamoyl)amino]methane (CID 154188724) is trifluoro-[methyl(sulfamoyl)amino]methane.
What is the SMILES notation for trifluoro-[methyl(sulfamoyl)amino]methane?
The canonical SMILES for trifluoro-[methyl(sulfamoyl)amino]methane is CN(C(F)(F)F)S(N)(=O)=O.
What is the InChIKey of trifluoro-[methyl(sulfamoyl)amino]methane?
The InChIKey is WHFVBEJZUOWWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F3N2O2S/c1-7(2(3,4)5)10(6,8)9/h1H3,(H2,6,8,9).
What are the key properties of trifluoro-[methyl(sulfamoyl)amino]methane?
trifluoro-[methyl(sulfamoyl)amino]methane has a molecular weight of 178.13 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[methyl(sulfamoyl)amino]methane is sourced from PubChem (CID 154188724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).