2,2,2-trifluoro-1-(methylsulfamoyl)ethanesulfonyl chloride

C3H5ClF3NO4S2 — CID 142771003

IUPAC2,2,2-trifluoro-1-(methylsulfamoyl)ethanesulfonyl chloride
SMILESCNS(=O)(=O)C(C(F)(F)F)S(=O)(=O)Cl
InChIInChI=1S/C3H5ClF3NO4S2/c1-8-14(11,12)2(3(5,6)7)13(4,9)10/h2,8H,1H3
InChIKeyWWXXFHOUBVBHRR-UHFFFAOYSA-N
MW275.66 g/mol
LogP-0.01
Rot. Bonds3

About 2,2,2-trifluoro-1-(methylsulfamoyl)ethanesulfonyl chloride

2,2,2-trifluoro-1-(methylsulfamoyl)ethanesulfonyl chloride (PubChem CID 142771003) has the molecular formula C3H5ClF3NO4S2 and a molecular weight of 275.66 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(methylsulfamoyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(methylsulfamoyl)ethanesulfonyl chloride
PubChem CID142771003
Molecular FormulaC3H5ClF3NO4S2
Molecular Weight275.66 g/mol
Exact Mass274.93
IUPAC Name2,2,2-trifluoro-1-(methylsulfamoyl)ethanesulfonyl chloride
SMILESCNS(=O)(=O)C(C(F)(F)F)S(=O)(=O)Cl
InChIInChI=1S/C3H5ClF3NO4S2/c1-8-14(11,12)2(3(5,6)7)13(4,9)10/h2,8H,1H3
InChIKeyWWXXFHOUBVBHRR-UHFFFAOYSA-N
XLogP-0.01
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(methylsulfamoyl)ethanesulfonyl chloride?
The IUPAC name of 2,2,2-trifluoro-1-(methylsulfamoyl)ethanesulfonyl chloride (CID 142771003) is 2,2,2-trifluoro-1-(methylsulfamoyl)ethanesulfonyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-1-(methylsulfamoyl)ethanesulfonyl chloride?
The canonical SMILES for 2,2,2-trifluoro-1-(methylsulfamoyl)ethanesulfonyl chloride is CNS(=O)(=O)C(C(F)(F)F)S(=O)(=O)Cl.
What is the InChIKey of 2,2,2-trifluoro-1-(methylsulfamoyl)ethanesulfonyl chloride?
The InChIKey is WWXXFHOUBVBHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClF3NO4S2/c1-8-14(11,12)2(3(5,6)7)13(4,9)10/h2,8H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(methylsulfamoyl)ethanesulfonyl chloride?
2,2,2-trifluoro-1-(methylsulfamoyl)ethanesulfonyl chloride has a molecular weight of 275.66 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(methylsulfamoyl)ethanesulfonyl chloride is sourced from PubChem (CID 142771003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).