N,N-bis(2,2,2-trifluoroethyl)sulfamoyl chloride

C4H4ClF6NO2S — CID 53256749

IUPACN,N-bis(2,2,2-trifluoroethyl)sulfamoyl chloride
SMILESO=S(=O)(Cl)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C4H4ClF6NO2S/c5-15(13,14)12(1-3(6,7)8)2-4(9,10)11/h1-2H2
InChIKeyZKDWMKHAXXKGLH-UHFFFAOYSA-N
MW279.59 g/mol
LogP1.90
Rot. Bonds3

About N,N-bis(2,2,2-trifluoroethyl)sulfamoyl chloride

N,N-bis(2,2,2-trifluoroethyl)sulfamoyl chloride (PubChem CID 53256749) has the molecular formula C4H4ClF6NO2S and a molecular weight of 279.59 g/mol. Its IUPAC name is N,N-bis(2,2,2-trifluoroethyl)sulfamoyl chloride.

Molecular Properties

Compound NameN,N-bis(2,2,2-trifluoroethyl)sulfamoyl chloride
PubChem CID53256749
Molecular FormulaC4H4ClF6NO2S
Molecular Weight279.59 g/mol
Exact Mass278.96
IUPAC NameN,N-bis(2,2,2-trifluoroethyl)sulfamoyl chloride
SMILESO=S(=O)(Cl)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C4H4ClF6NO2S/c5-15(13,14)12(1-3(6,7)8)2-4(9,10)11/h1-2H2
InChIKeyZKDWMKHAXXKGLH-UHFFFAOYSA-N
XLogP1.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.59
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2,2,2-trifluoroethyl)sulfamoyl chloride?
The IUPAC name of N,N-bis(2,2,2-trifluoroethyl)sulfamoyl chloride (CID 53256749) is N,N-bis(2,2,2-trifluoroethyl)sulfamoyl chloride.
What is the SMILES notation for N,N-bis(2,2,2-trifluoroethyl)sulfamoyl chloride?
The canonical SMILES for N,N-bis(2,2,2-trifluoroethyl)sulfamoyl chloride is O=S(=O)(Cl)N(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of N,N-bis(2,2,2-trifluoroethyl)sulfamoyl chloride?
The InChIKey is ZKDWMKHAXXKGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClF6NO2S/c5-15(13,14)12(1-3(6,7)8)2-4(9,10)11/h1-2H2.
What are the key properties of N,N-bis(2,2,2-trifluoroethyl)sulfamoyl chloride?
N,N-bis(2,2,2-trifluoroethyl)sulfamoyl chloride has a molecular weight of 279.59 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2,2,2-trifluoroethyl)sulfamoyl chloride is sourced from PubChem (CID 53256749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).