4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide

C14H19FN2O4S — CID 56865455

IUPAC4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H19FN2O4S/c15-12-5-3-11(4-6-12)13-10-17(7-8-21-13)14(18)2-1-9-22(16,19)20/h3-6,13H,1-2,7-10H2,(H2,16,19,20)
InChIKeyFEKDMHQCGNEEOW-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.79
Rot. Bonds5

About 4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide

4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide (PubChem CID 56865455) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide
PubChem CID56865455
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H19FN2O4S/c15-12-5-3-11(4-6-12)13-10-17(7-8-21-13)14(18)2-1-9-22(16,19)20/h3-6,13H,1-2,7-10H2,(H2,16,19,20)
InChIKeyFEKDMHQCGNEEOW-UHFFFAOYSA-N
XLogP0.79
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide?
The IUPAC name of 4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide (CID 56865455) is 4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide.
What is the SMILES notation for 4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide?
The canonical SMILES for 4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide is NS(=O)(=O)CCCC(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide?
The InChIKey is FEKDMHQCGNEEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c15-12-5-3-11(4-6-12)13-10-17(7-8-21-13)14(18)2-1-9-22(16,19)20/h3-6,13H,1-2,7-10H2,(H2,16,19,20).
What are the key properties of 4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide?
4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide has a molecular weight of 330.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide is sourced from PubChem (CID 56865455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).