(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone

C21H23F2N3O6S2 — CID 24983009

IUPAC(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C21H23F2N3O6S2/c22-17-2-1-3-18(15-17)33(28,29)25-8-6-24(7-9-25)21(27)16-4-5-19(23)20(14-16)34(30,31)26-10-12-32-13-11-26/h1-5,14-15H,6-13H2
InChIKeyNAAFXEUPTYDVIN-UHFFFAOYSA-N
MW515.56 g/mol
LogP1.13
Rot. Bonds5

About (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone

(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 24983009) has the molecular formula C21H23F2N3O6S2 and a molecular weight of 515.56 g/mol. Its IUPAC name is (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID24983009
Molecular FormulaC21H23F2N3O6S2
Molecular Weight515.56 g/mol
Exact Mass515.10
IUPAC Name(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C21H23F2N3O6S2/c22-17-2-1-3-18(15-17)33(28,29)25-8-6-24(7-9-25)21(27)16-4-5-19(23)20(14-16)34(30,31)26-10-12-32-13-11-26/h1-5,14-15H,6-13H2
InChIKeyNAAFXEUPTYDVIN-UHFFFAOYSA-N
XLogP1.13
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.56
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 7964090
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 7769572
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 26558503
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 9369509
4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 27243385
1-[3-fluoro-4-[4-(3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 16574376
(2,4-difluorophenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 4805726
3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile
CID 4805711
N-[4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 9369475
(3,4-difluorophenyl)-[4-(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 55599727
(3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2542470

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 24983009) is (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is NAAFXEUPTYDVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O6S2/c22-17-2-1-3-18(15-17)33(28,29)25-8-6-24(7-9-25)21(27)16-4-5-19(23)20(14-16)34(30,31)26-10-12-32-13-11-26/h1-5,14-15H,6-13H2.
What are the key properties of (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 515.56 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 24983009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).