1,1-difluoro-2-morpholin-4-yl-2-oxo-N-phenylethanesulfonamide

C12H14F2N2O4S — CID 663348

IUPAC1,1-difluoro-2-morpholin-4-yl-2-oxo-N-phenylethanesulfonamide
SMILESO=C(N1CCOCC1)C(F)(F)S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C12H14F2N2O4S/c13-12(14,11(17)16-6-8-20-9-7-16)21(18,19)15-10-4-2-1-3-5-10/h1-5,15H,6-9H2
InChIKeyFDCOLCXTUSUHCK-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.88
Rot. Bonds4

About 1,1-difluoro-2-morpholin-4-yl-2-oxo-N-phenylethanesulfonamide

1,1-difluoro-2-morpholin-4-yl-2-oxo-N-phenylethanesulfonamide (PubChem CID 663348) has the molecular formula C12H14F2N2O4S and a molecular weight of 320.32 g/mol. Its IUPAC name is 1,1-difluoro-2-morpholin-4-yl-2-oxo-N-phenylethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-2-morpholin-4-yl-2-oxo-N-phenylethanesulfonamide
PubChem CID663348
Molecular FormulaC12H14F2N2O4S
Molecular Weight320.32 g/mol
Exact Mass320.06
IUPAC Name1,1-difluoro-2-morpholin-4-yl-2-oxo-N-phenylethanesulfonamide
SMILESO=C(N1CCOCC1)C(F)(F)S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C12H14F2N2O4S/c13-12(14,11(17)16-6-8-20-9-7-16)21(18,19)15-10-4-2-1-3-5-10/h1-5,15H,6-9H2
InChIKeyFDCOLCXTUSUHCK-UHFFFAOYSA-N
XLogP0.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.88
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-oxo-N-phenylethanesulfonamide?
The IUPAC name of 1,1-difluoro-2-morpholin-4-yl-2-oxo-N-phenylethanesulfonamide (CID 663348) is 1,1-difluoro-2-morpholin-4-yl-2-oxo-N-phenylethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-2-morpholin-4-yl-2-oxo-N-phenylethanesulfonamide?
The canonical SMILES for 1,1-difluoro-2-morpholin-4-yl-2-oxo-N-phenylethanesulfonamide is O=C(N1CCOCC1)C(F)(F)S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 1,1-difluoro-2-morpholin-4-yl-2-oxo-N-phenylethanesulfonamide?
The InChIKey is FDCOLCXTUSUHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O4S/c13-12(14,11(17)16-6-8-20-9-7-16)21(18,19)15-10-4-2-1-3-5-10/h1-5,15H,6-9H2.
What are the key properties of 1,1-difluoro-2-morpholin-4-yl-2-oxo-N-phenylethanesulfonamide?
1,1-difluoro-2-morpholin-4-yl-2-oxo-N-phenylethanesulfonamide has a molecular weight of 320.32 g/mol, XLogP of 0.88, 4 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-oxo-N-phenylethanesulfonamide is sourced from PubChem (CID 663348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).