2,4-difluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide

C18H18F2N2O4S — CID 16895110

IUPAC2,4-difluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1F)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H18F2N2O4S/c19-14-6-7-17(15(20)10-14)27(24,25)21-11-18(23)22-8-9-26-16(12-22)13-4-2-1-3-5-13/h1-7,10,16,21H,8-9,11-12H2
InChIKeyLKIUJPUHQMXTJY-UHFFFAOYSA-N
MW396.42 g/mol
LogP1.84
Rot. Bonds5

About 2,4-difluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide

2,4-difluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (PubChem CID 16895110) has the molecular formula C18H18F2N2O4S and a molecular weight of 396.42 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
PubChem CID16895110
Molecular FormulaC18H18F2N2O4S
Molecular Weight396.42 g/mol
Exact Mass396.10
IUPAC Name2,4-difluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1F)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H18F2N2O4S/c19-14-6-7-17(15(20)10-14)27(24,25)21-11-18(23)22-8-9-26-16(12-22)13-4-2-1-3-5-13/h1-7,10,16,21H,8-9,11-12H2
InChIKeyLKIUJPUHQMXTJY-UHFFFAOYSA-N
XLogP1.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (CID 16895110) is 2,4-difluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is O=C(CNS(=O)(=O)c1ccc(F)cc1F)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 2,4-difluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is LKIUJPUHQMXTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O4S/c19-14-6-7-17(15(20)10-14)27(24,25)21-11-18(23)22-8-9-26-16(12-22)13-4-2-1-3-5-13/h1-7,10,16,21H,8-9,11-12H2.
What are the key properties of 2,4-difluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
2,4-difluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 396.42 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16895110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).