dibenzofuran-2-yl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate

C26H23NO6S — CID 31304364

IUPACdibenzofuran-2-yl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Oc3ccc4oc5ccccc5c4c3)CC2)c1
InChIInChI=1S/C26H23NO6S/c1-17(28)19-5-4-6-21(15-19)34(30,31)27-13-11-18(12-14-27)26(29)32-20-9-10-25-23(16-20)22-7-2-3-8-24(22)33-25/h2-10,15-16,18H,11-14H2,1H3
InChIKeyQAQYFIFDVXQPMJ-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.79
Rot. Bonds5

About dibenzofuran-2-yl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate

dibenzofuran-2-yl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 31304364) has the molecular formula C26H23NO6S and a molecular weight of 477.54 g/mol. Its IUPAC name is dibenzofuran-2-yl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Namedibenzofuran-2-yl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID31304364
Molecular FormulaC26H23NO6S
Molecular Weight477.54 g/mol
Exact Mass477.12
IUPAC Namedibenzofuran-2-yl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Oc3ccc4oc5ccccc5c4c3)CC2)c1
InChIInChI=1S/C26H23NO6S/c1-17(28)19-5-4-6-21(15-19)34(30,31)27-13-11-18(12-14-27)26(29)32-20-9-10-25-23(16-20)22-7-2-3-8-24(22)33-25/h2-10,15-16,18H,11-14H2,1H3
InChIKeyQAQYFIFDVXQPMJ-UHFFFAOYSA-N
XLogP4.79
TPSA93.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-acetylphenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 18287959
[(3S)-2-oxooxolan-3-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate
CID 7891737
1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 90589462
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate
CID 8635643
dibenzofuran-2-yl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 43038702
dibenzofuran-2-yl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 32991028
[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate
CID 9487220
1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide
CID 26735300
1-[3-[4-[(4-methylphenoxy)methyl]piperidin-1-yl]sulfonylphenyl]ethanone
CID 110411301
1-[3-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 103535085
1-(3-acetylphenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 8714129
(4-acetylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate
CID 3915580

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of dibenzofuran-2-yl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate (CID 31304364) is dibenzofuran-2-yl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for dibenzofuran-2-yl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for dibenzofuran-2-yl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate is CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Oc3ccc4oc5ccccc5c4c3)CC2)c1.
What is the InChIKey of dibenzofuran-2-yl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is QAQYFIFDVXQPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO6S/c1-17(28)19-5-4-6-21(15-19)34(30,31)27-13-11-18(12-14-27)26(29)32-20-9-10-25-23(16-20)22-7-2-3-8-24(22)33-25/h2-10,15-16,18H,11-14H2,1H3.
What are the key properties of dibenzofuran-2-yl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate?
dibenzofuran-2-yl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 477.54 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 31304364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).