2-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride

C4H5ClF3NO3S — CID 14028995

IUPAC2-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride
SMILESO=C(NCCS(=O)(=O)Cl)C(F)(F)F
InChIInChI=1S/C4H5ClF3NO3S/c5-13(11,12)2-1-9-3(10)4(6,7)8/h1-2H2,(H,9,10)
InChIKeyFJFXSAZUWBFCSL-UHFFFAOYSA-N
MW239.60 g/mol
LogP0.23
Rot. Bonds3

About 2-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride

2-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride (PubChem CID 14028995) has the molecular formula C4H5ClF3NO3S and a molecular weight of 239.60 g/mol. Its IUPAC name is 2-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride.

Molecular Properties

Compound Name2-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride
PubChem CID14028995
Molecular FormulaC4H5ClF3NO3S
Molecular Weight239.60 g/mol
Exact Mass238.96
IUPAC Name2-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride
SMILESO=C(NCCS(=O)(=O)Cl)C(F)(F)F
InChIInChI=1S/C4H5ClF3NO3S/c5-13(11,12)2-1-9-3(10)4(6,7)8/h1-2H2,(H,9,10)
InChIKeyFJFXSAZUWBFCSL-UHFFFAOYSA-N
XLogP0.23
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.60
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-(2-sulfamoylethyl)acetamide
CID 14028996
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
1-[(2,2,2-Trifluoroacetyl)amino]ethanesulfonic acid;hydrochloride
CID 88792540
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-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride?
The IUPAC name of 2-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride (CID 14028995) is 2-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride.
What is the SMILES notation for 2-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride?
The canonical SMILES for 2-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride is O=C(NCCS(=O)(=O)Cl)C(F)(F)F.
What is the InChIKey of 2-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride?
The InChIKey is FJFXSAZUWBFCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClF3NO3S/c5-13(11,12)2-1-9-3(10)4(6,7)8/h1-2H2,(H,9,10).
What are the key properties of 2-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride?
2-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride has a molecular weight of 239.60 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,2-trifluoroacetyl)amino]ethanesulfonyl chloride is sourced from PubChem (CID 14028995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).