2-(2-chlorophenyl)-2,2-difluoroethanesulfonamide

C8H8ClF2NO2S — CID 67811788

IUPAC2-(2-chlorophenyl)-2,2-difluoroethanesulfonamide
SMILESNS(=O)(=O)CC(F)(F)c1ccccc1Cl
InChIInChI=1S/C8H8ClF2NO2S/c9-7-4-2-1-3-6(7)8(10,11)5-15(12,13)14/h1-4H,5H2,(H2,12,13,14)
InChIKeyGMXYAJNGJRIQHR-UHFFFAOYSA-N
MW255.67 g/mol
LogP1.72
Rot. Bonds3

About 2-(2-chlorophenyl)-2,2-difluoroethanesulfonamide

2-(2-chlorophenyl)-2,2-difluoroethanesulfonamide (PubChem CID 67811788) has the molecular formula C8H8ClF2NO2S and a molecular weight of 255.67 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2,2-difluoroethanesulfonamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2,2-difluoroethanesulfonamide
PubChem CID67811788
Molecular FormulaC8H8ClF2NO2S
Molecular Weight255.67 g/mol
Exact Mass254.99
IUPAC Name2-(2-chlorophenyl)-2,2-difluoroethanesulfonamide
SMILESNS(=O)(=O)CC(F)(F)c1ccccc1Cl
InChIInChI=1S/C8H8ClF2NO2S/c9-7-4-2-1-3-6(7)8(10,11)5-15(12,13)14/h1-4H,5H2,(H2,12,13,14)
InChIKeyGMXYAJNGJRIQHR-UHFFFAOYSA-N
XLogP1.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2,2-difluoroethanesulfonamide?
The IUPAC name of 2-(2-chlorophenyl)-2,2-difluoroethanesulfonamide (CID 67811788) is 2-(2-chlorophenyl)-2,2-difluoroethanesulfonamide.
What is the SMILES notation for 2-(2-chlorophenyl)-2,2-difluoroethanesulfonamide?
The canonical SMILES for 2-(2-chlorophenyl)-2,2-difluoroethanesulfonamide is NS(=O)(=O)CC(F)(F)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2,2-difluoroethanesulfonamide?
The InChIKey is GMXYAJNGJRIQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO2S/c9-7-4-2-1-3-6(7)8(10,11)5-15(12,13)14/h1-4H,5H2,(H2,12,13,14).
What are the key properties of 2-(2-chlorophenyl)-2,2-difluoroethanesulfonamide?
2-(2-chlorophenyl)-2,2-difluoroethanesulfonamide has a molecular weight of 255.67 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2,2-difluoroethanesulfonamide is sourced from PubChem (CID 67811788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).