1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonamide

C6H10F2N2O4S — CID 1212508

IUPAC1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonamide
SMILESNS(=O)(=O)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C6H10F2N2O4S/c7-6(8,15(9,12)13)5(11)10-1-3-14-4-2-10/h1-4H2,(H2,9,12,13)
InChIKeyGKGLBCURBVWBDC-UHFFFAOYSA-N
MW244.22 g/mol
LogP-1.27
Rot. Bonds2

About 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonamide

1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonamide (PubChem CID 1212508) has the molecular formula C6H10F2N2O4S and a molecular weight of 244.22 g/mol. Its IUPAC name is 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonamide
PubChem CID1212508
Molecular FormulaC6H10F2N2O4S
Molecular Weight244.22 g/mol
Exact Mass244.03
IUPAC Name1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonamide
SMILESNS(=O)(=O)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C6H10F2N2O4S/c7-6(8,15(9,12)13)5(11)10-1-3-14-4-2-10/h1-4H2,(H2,9,12,13)
InChIKeyGKGLBCURBVWBDC-UHFFFAOYSA-N
XLogP-1.27
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonamide?
The IUPAC name of 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonamide (CID 1212508) is 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonamide?
The canonical SMILES for 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonamide is NS(=O)(=O)C(F)(F)C(=O)N1CCOCC1.
What is the InChIKey of 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonamide?
The InChIKey is GKGLBCURBVWBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O4S/c7-6(8,15(9,12)13)5(11)10-1-3-14-4-2-10/h1-4H2,(H2,9,12,13).
What are the key properties of 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonamide?
1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonamide has a molecular weight of 244.22 g/mol, XLogP of -1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-morpholin-4-yl-2-oxoethanesulfonamide is sourced from PubChem (CID 1212508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).