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

C8H14F2N2O4S — CID 102153271

IUPAC1,1-difluoro-N,N-dimethyl-2-morpholin-4-yl-2-oxoethanesulfonamide
SMILESCN(C)S(=O)(=O)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C8H14F2N2O4S/c1-11(2)17(14,15)8(9,10)7(13)12-3-5-16-6-4-12/h3-6H2,1-2H3
InChIKeySLMXIYQLNJJZHE-UHFFFAOYSA-N
MW272.27 g/mol
LogP-0.67
Rot. Bonds3

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

1,1-difluoro-N,N-dimethyl-2-morpholin-4-yl-2-oxoethanesulfonamide (PubChem CID 102153271) has the molecular formula C8H14F2N2O4S and a molecular weight of 272.27 g/mol. Its IUPAC name is 1,1-difluoro-N,N-dimethyl-2-morpholin-4-yl-2-oxoethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N,N-dimethyl-2-morpholin-4-yl-2-oxoethanesulfonamide
PubChem CID102153271
Molecular FormulaC8H14F2N2O4S
Molecular Weight272.27 g/mol
Exact Mass272.06
IUPAC Name1,1-difluoro-N,N-dimethyl-2-morpholin-4-yl-2-oxoethanesulfonamide
SMILESCN(C)S(=O)(=O)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C8H14F2N2O4S/c1-11(2)17(14,15)8(9,10)7(13)12-3-5-16-6-4-12/h3-6H2,1-2H3
InChIKeySLMXIYQLNJJZHE-UHFFFAOYSA-N
XLogP-0.67
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N,N-dimethyl-2-morpholin-4-yl-2-oxoethanesulfonamide?
The IUPAC name of 1,1-difluoro-N,N-dimethyl-2-morpholin-4-yl-2-oxoethanesulfonamide (CID 102153271) is 1,1-difluoro-N,N-dimethyl-2-morpholin-4-yl-2-oxoethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N,N-dimethyl-2-morpholin-4-yl-2-oxoethanesulfonamide?
The canonical SMILES for 1,1-difluoro-N,N-dimethyl-2-morpholin-4-yl-2-oxoethanesulfonamide is CN(C)S(=O)(=O)C(F)(F)C(=O)N1CCOCC1.
What is the InChIKey of 1,1-difluoro-N,N-dimethyl-2-morpholin-4-yl-2-oxoethanesulfonamide?
The InChIKey is SLMXIYQLNJJZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O4S/c1-11(2)17(14,15)8(9,10)7(13)12-3-5-16-6-4-12/h3-6H2,1-2H3.
What are the key properties of 1,1-difluoro-N,N-dimethyl-2-morpholin-4-yl-2-oxoethanesulfonamide?
1,1-difluoro-N,N-dimethyl-2-morpholin-4-yl-2-oxoethanesulfonamide has a molecular weight of 272.27 g/mol, XLogP of -0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N,N-dimethyl-2-morpholin-4-yl-2-oxoethanesulfonamide is sourced from PubChem (CID 102153271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).