N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]morpholine-4-sulfonamide

C16H22FN3O4S — CID 16919904

IUPACN-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]morpholine-4-sulfonamide
SMILESO=C1CC(CNS(=O)(=O)N2CCOCC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C16H22FN3O4S/c17-15-3-1-13(2-4-15)11-19-12-14(9-16(19)21)10-18-25(22,23)20-5-7-24-8-6-20/h1-4,14,18H,5-12H2
InChIKeyOUBFTRADGAZEMZ-UHFFFAOYSA-N
MW371.43 g/mol
LogP0.34
Rot. Bonds6

About N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]morpholine-4-sulfonamide

N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]morpholine-4-sulfonamide (PubChem CID 16919904) has the molecular formula C16H22FN3O4S and a molecular weight of 371.43 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]morpholine-4-sulfonamide
PubChem CID16919904
Molecular FormulaC16H22FN3O4S
Molecular Weight371.43 g/mol
Exact Mass371.13
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]morpholine-4-sulfonamide
SMILESO=C1CC(CNS(=O)(=O)N2CCOCC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C16H22FN3O4S/c17-15-3-1-13(2-4-15)11-19-12-14(9-16(19)21)10-18-25(22,23)20-5-7-24-8-6-20/h1-4,14,18H,5-12H2
InChIKeyOUBFTRADGAZEMZ-UHFFFAOYSA-N
XLogP0.34
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]morpholine-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]morpholine-4-sulfonamide?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]morpholine-4-sulfonamide (CID 16919904) is N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]morpholine-4-sulfonamide is O=C1CC(CNS(=O)(=O)N2CCOCC2)CN1Cc1ccc(F)cc1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]morpholine-4-sulfonamide?
The InChIKey is OUBFTRADGAZEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O4S/c17-15-3-1-13(2-4-15)11-19-12-14(9-16(19)21)10-18-25(22,23)20-5-7-24-8-6-20/h1-4,14,18H,5-12H2.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]morpholine-4-sulfonamide?
N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]morpholine-4-sulfonamide has a molecular weight of 371.43 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]morpholine-4-sulfonamide is sourced from PubChem (CID 16919904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).