4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one

C21H22FN3O5S — CID 42949393

IUPAC4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2cccc(C(=O)N3CCOC(c4ccc(F)cc4)C3)c2)CCN1
InChIInChI=1S/C21H22FN3O5S/c22-17-6-4-15(5-7-17)19-13-24(10-11-30-19)21(27)16-2-1-3-18(12-16)31(28,29)25-9-8-23-20(26)14-25/h1-7,12,19H,8-11,13-14H2,(H,23,26)
InChIKeyGLKWQOVEPMVOIN-UHFFFAOYSA-N
MW447.49 g/mol
LogP1.16
Rot. Bonds4

About 4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one

4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one (PubChem CID 42949393) has the molecular formula C21H22FN3O5S and a molecular weight of 447.49 g/mol. Its IUPAC name is 4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one
PubChem CID42949393
Molecular FormulaC21H22FN3O5S
Molecular Weight447.49 g/mol
Exact Mass447.13
IUPAC Name4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2cccc(C(=O)N3CCOC(c4ccc(F)cc4)C3)c2)CCN1
InChIInChI=1S/C21H22FN3O5S/c22-17-6-4-15(5-7-17)19-13-24(10-11-30-19)21(27)16-2-1-3-18(12-16)31(28,29)25-9-8-23-20(26)14-25/h1-7,12,19H,8-11,13-14H2,(H,23,26)
InChIKeyGLKWQOVEPMVOIN-UHFFFAOYSA-N
XLogP1.16
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 37355621
[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone
CID 43057359
[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone
CID 55948015
N-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanesulfonamide
CID 134044195
4-[3-(1,4-diazepane-1-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 119418489
4-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 39977453
1-[3-[(2R)-2-(4-bromophenyl)morpholine-4-carbonyl]phenyl]imidazolidin-2-one
CID 97077495
1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 70761450
[2-(4-fluorophenyl)morpholin-4-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 47517184
N-(2,4-difluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55559568
N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354508
[2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone
CID 55635007

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one?
The IUPAC name of 4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one (CID 42949393) is 4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one.
What is the SMILES notation for 4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one?
The canonical SMILES for 4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one is O=C1CN(S(=O)(=O)c2cccc(C(=O)N3CCOC(c4ccc(F)cc4)C3)c2)CCN1.
What is the InChIKey of 4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one?
The InChIKey is GLKWQOVEPMVOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O5S/c22-17-6-4-15(5-7-17)19-13-24(10-11-30-19)21(27)16-2-1-3-18(12-16)31(28,29)25-9-8-23-20(26)14-25/h1-7,12,19H,8-11,13-14H2,(H,23,26).
What are the key properties of 4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one?
4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one has a molecular weight of 447.49 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]sulfonylpiperazin-2-one is sourced from PubChem (CID 42949393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).