2,2,2-trifluoro-N-(2-sulfamoylethyl)acetamide

C4H7F3N2O3S — CID 14028996

IUPAC2,2,2-trifluoro-N-(2-sulfamoylethyl)acetamide
SMILESNS(=O)(=O)CCNC(=O)C(F)(F)F
InChIInChI=1S/C4H7F3N2O3S/c5-4(6,7)3(10)9-1-2-13(8,11)12/h1-2H2,(H,9,10)(H2,8,11,12)
InChIKeyXWIGEHNCLWNNDK-UHFFFAOYSA-N
MW220.17 g/mol
LogP-1.05
Rot. Bonds3

About 2,2,2-trifluoro-N-(2-sulfamoylethyl)acetamide

2,2,2-trifluoro-N-(2-sulfamoylethyl)acetamide (PubChem CID 14028996) has the molecular formula C4H7F3N2O3S and a molecular weight of 220.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-sulfamoylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-sulfamoylethyl)acetamide
PubChem CID14028996
Molecular FormulaC4H7F3N2O3S
Molecular Weight220.17 g/mol
Exact Mass220.01
IUPAC Name2,2,2-trifluoro-N-(2-sulfamoylethyl)acetamide
SMILESNS(=O)(=O)CCNC(=O)C(F)(F)F
InChIInChI=1S/C4H7F3N2O3S/c5-4(6,7)3(10)9-1-2-13(8,11)12/h1-2H2,(H,9,10)(H2,8,11,12)
InChIKeyXWIGEHNCLWNNDK-UHFFFAOYSA-N
XLogP-1.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-sulfamoylethyl)acetamide
CID 21989478
2-(2,2,2-Trifluoroacetamido)ethanesulfonyl chloride
CID 14028995
2-[(2,2,2-Trifluoroacetyl)amino]ethanesulfonic acid
CID 17769895
1-[(2,2,2-Trifluoroacetyl)amino]ethanesulfonic acid
CID 20390536
2,2,2-trifluoro-N-(2-methanesulfonylethyl)acetamide
CID 22609710
2,2,2-trifluoro-N-(2-methylsulfonylsulfanylethyl)acetamide
CID 23401497
1-[(2,2,2-Trifluoroacetyl)amino]ethanesulfonyl chloride
CID 54279307
2-[(2,2,2-Trifluoroacetyl)amino]ethanesulfonic acid;hydrochloride
CID 88792216
2-(Ethylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride
CID 123507326
2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 138562483
2-sulfinyl-N-(2,2,2-trifluoroethyl)acetamide
CID 141348896
2-sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 141348905

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-sulfamoylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-sulfamoylethyl)acetamide (CID 14028996) is 2,2,2-trifluoro-N-(2-sulfamoylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-sulfamoylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-sulfamoylethyl)acetamide is NS(=O)(=O)CCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-sulfamoylethyl)acetamide?
The InChIKey is XWIGEHNCLWNNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2O3S/c5-4(6,7)3(10)9-1-2-13(8,11)12/h1-2H2,(H,9,10)(H2,8,11,12).
What are the key properties of 2,2,2-trifluoro-N-(2-sulfamoylethyl)acetamide?
2,2,2-trifluoro-N-(2-sulfamoylethyl)acetamide has a molecular weight of 220.17 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-sulfamoylethyl)acetamide is sourced from PubChem (CID 14028996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).