4-[2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide

C20H20F2N2O4S — CID 56511454

IUPAC4-[2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C20H20F2N2O4S/c21-15-3-6-18(22)17(12-15)20(26)14-7-9-24(10-8-14)19(25)11-13-1-4-16(5-2-13)29(23,27)28/h1-6,12,14H,7-11H2,(H2,23,27,28)
InChIKeyZGXODFYVPJGSGN-UHFFFAOYSA-N
MW422.45 g/mol
LogP2.28
Rot. Bonds5

About 4-[2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide

4-[2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 56511454) has the molecular formula C20H20F2N2O4S and a molecular weight of 422.45 g/mol. Its IUPAC name is 4-[2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID56511454
Molecular FormulaC20H20F2N2O4S
Molecular Weight422.45 g/mol
Exact Mass422.11
IUPAC Name4-[2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C20H20F2N2O4S/c21-15-3-6-18(22)17(12-15)20(26)14-7-9-24(10-8-14)19(25)11-13-1-4-16(5-2-13)29(23,27)28/h1-6,12,14H,7-11H2,(H2,23,27,28)
InChIKeyZGXODFYVPJGSGN-UHFFFAOYSA-N
XLogP2.28
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 21304004
4-[2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 56511078
N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-(4-sulfamoylphenyl)acetyl]piperidine-4-carboxamide
CID 56553008
4-[(E)-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-3-oxoprop-1-enyl]-N-ethylbenzenesulfonamide
CID 55963625
N-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-3-oxopropyl]-4-ethoxybenzenesulfonamide
CID 55845210
(2,5-difluorophenyl)-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55964769
1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-(4-nitrophenyl)sulfanylethanone
CID 55845220
1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide
CID 119138730
1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 48869030
(E)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-3-(4-methylphenyl)prop-2-en-1-one
CID 55747979
1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione
CID 55747786
2-(4-fluorophenyl)-1-[4-(3-methoxy-2-methylbenzoyl)piperidin-1-yl]ethanone
CID 142039589

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide (CID 56511454) is 4-[2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1.
What is the InChIKey of 4-[2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is ZGXODFYVPJGSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O4S/c21-15-3-6-18(22)17(12-15)20(26)14-7-9-24(10-8-14)19(25)11-13-1-4-16(5-2-13)29(23,27)28/h1-6,12,14H,7-11H2,(H2,23,27,28).
What are the key properties of 4-[2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide?
4-[2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 422.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 56511454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).