N-(2,2-difluoroethyl)sulfamoyl chloride

C2H4ClF2NO2S — CID 114958413

IUPACN-(2,2-difluoroethyl)sulfamoyl chloride
SMILESO=S(=O)(Cl)NCC(F)F
InChIInChI=1S/C2H4ClF2NO2S/c3-9(7,8)6-1-2(4)5/h2,6H,1H2
InChIKeyVRPHMLPENIXEKC-UHFFFAOYSA-N
MW179.58 g/mol
LogP0.32
Rot. Bonds3

About N-(2,2-difluoroethyl)sulfamoyl chloride

N-(2,2-difluoroethyl)sulfamoyl chloride (PubChem CID 114958413) has the molecular formula C2H4ClF2NO2S and a molecular weight of 179.58 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)sulfamoyl chloride
PubChem CID114958413
Molecular FormulaC2H4ClF2NO2S
Molecular Weight179.58 g/mol
Exact Mass178.96
IUPAC NameN-(2,2-difluoroethyl)sulfamoyl chloride
SMILESO=S(=O)(Cl)NCC(F)F
InChIInChI=1S/C2H4ClF2NO2S/c3-9(7,8)6-1-2(4)5/h2,6H,1H2
InChIKeyVRPHMLPENIXEKC-UHFFFAOYSA-N
XLogP0.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.58
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)sulfamoyl chloride?
The IUPAC name of N-(2,2-difluoroethyl)sulfamoyl chloride (CID 114958413) is N-(2,2-difluoroethyl)sulfamoyl chloride.
What is the SMILES notation for N-(2,2-difluoroethyl)sulfamoyl chloride?
The canonical SMILES for N-(2,2-difluoroethyl)sulfamoyl chloride is O=S(=O)(Cl)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)sulfamoyl chloride?
The InChIKey is VRPHMLPENIXEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClF2NO2S/c3-9(7,8)6-1-2(4)5/h2,6H,1H2.
What are the key properties of N-(2,2-difluoroethyl)sulfamoyl chloride?
N-(2,2-difluoroethyl)sulfamoyl chloride has a molecular weight of 179.58 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)sulfamoyl chloride is sourced from PubChem (CID 114958413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).