1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone

C19H21NO5S2 — CID 90589462

IUPAC1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C19H21NO5S2/c1-15(21)16-6-5-9-19(14-16)27(24,25)20-12-10-18(11-13-20)26(22,23)17-7-3-2-4-8-17/h2-9,14,18H,10-13H2,1H3
InChIKeySXFGTFWALSSJTK-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.52
Rot. Bonds5

About 1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone

1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone (PubChem CID 90589462) has the molecular formula C19H21NO5S2 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone
PubChem CID90589462
Molecular FormulaC19H21NO5S2
Molecular Weight407.51 g/mol
Exact Mass407.09
IUPAC Name1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C19H21NO5S2/c1-15(21)16-6-5-9-19(14-16)27(24,25)20-12-10-18(11-13-20)26(22,23)17-7-3-2-4-8-17/h2-9,14,18H,10-13H2,1H3
InChIKeySXFGTFWALSSJTK-UHFFFAOYSA-N
XLogP2.52
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[3-[(3S)-3-methylsulfonylpyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 97354833
1-[3-[[(1R,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]phenyl]ethanone
CID 97415165
1-[3-(3-aminopyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 62067980
1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide
CID 26735300
1-[3-(3-hydroxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 103896772
4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine
CID 90589474
3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid
CID 16783100
1-[3-(3-phenylazepan-1-yl)sulfonylphenyl]ethanone
CID 90608667
3-[(3S)-3-methylpyrrolidin-1-yl]sulfonylbenzoic acid
CID 167493964
1-[3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 71781202
1-(3-acetylphenyl)sulfonyl-N-[(R)-(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 40897728
1-[3-[[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]sulfonyl]phenyl]ethanone
CID 90629946

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone (CID 90589462) is 1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1cccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is SXFGTFWALSSJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S2/c1-15(21)16-6-5-9-19(14-16)27(24,25)20-12-10-18(11-13-20)26(22,23)17-7-3-2-4-8-17/h2-9,14,18H,10-13H2,1H3.
What are the key properties of 1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone?
1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 407.51 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 90589462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).