4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide

C18H19FN2O5S — CID 110367600

IUPAC4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(N2CC(CNS(=O)(=O)c3ccc(F)cc3)OCC2=O)cc1
InChIInChI=1S/C18H19FN2O5S/c1-25-15-6-4-14(5-7-15)21-11-16(26-12-18(21)22)10-20-27(23,24)17-8-2-13(19)3-9-17/h2-9,16,20H,10-12H2,1H3
InChIKeyAMBXZPRKKMINRW-UHFFFAOYSA-N
MW394.42 g/mol
LogP1.54
Rot. Bonds6

About 4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide

4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide (PubChem CID 110367600) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is 4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
PubChem CID110367600
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(N2CC(CNS(=O)(=O)c3ccc(F)cc3)OCC2=O)cc1
InChIInChI=1S/C18H19FN2O5S/c1-25-15-6-4-14(5-7-15)21-11-16(26-12-18(21)22)10-20-27(23,24)17-8-2-13(19)3-9-17/h2-9,16,20H,10-12H2,1H3
InChIKeyAMBXZPRKKMINRW-UHFFFAOYSA-N
XLogP1.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367598
N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]propane-1-sulfonamide
CID 110367596
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110367352
N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367451
N-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 110367989
N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 110367829
4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919759
N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-fluorobenzenesulfonamide
CID 16919638
N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-2-methylbenzenesulfonamide
CID 110367685
4-fluoro-N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912146
N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide
CID 110328213
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 16919719

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide (CID 110367600) is 4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide is COc1ccc(N2CC(CNS(=O)(=O)c3ccc(F)cc3)OCC2=O)cc1.
What is the InChIKey of 4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide?
The InChIKey is AMBXZPRKKMINRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c1-25-15-6-4-14(5-7-15)21-11-16(26-12-18(21)22)10-20-27(23,24)17-8-2-13(19)3-9-17/h2-9,16,20H,10-12H2,1H3.
What are the key properties of 4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide?
4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide has a molecular weight of 394.42 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 110367600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).