ethyl 1-dibenzofuran-2-ylsulfonylpiperidine-4-carboxylate

C20H21NO5S — CID 2809743

IUPACethyl 1-dibenzofuran-2-ylsulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2ccc3oc4ccccc4c3c2)CC1
InChIInChI=1S/C20H21NO5S/c1-2-25-20(22)14-9-11-21(12-10-14)27(23,24)15-7-8-19-17(13-15)16-5-3-4-6-18(16)26-19/h3-8,13-14H,2,9-12H2,1H3
InChIKeyZRJYAJAXLYEXPJ-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.55
Rot. Bonds4

About ethyl 1-dibenzofuran-2-ylsulfonylpiperidine-4-carboxylate

ethyl 1-dibenzofuran-2-ylsulfonylpiperidine-4-carboxylate (PubChem CID 2809743) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is ethyl 1-dibenzofuran-2-ylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-dibenzofuran-2-ylsulfonylpiperidine-4-carboxylate
PubChem CID2809743
Molecular FormulaC20H21NO5S
Molecular Weight387.46 g/mol
Exact Mass387.11
IUPAC Nameethyl 1-dibenzofuran-2-ylsulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2ccc3oc4ccccc4c3c2)CC1
InChIInChI=1S/C20H21NO5S/c1-2-25-20(22)14-9-11-21(12-10-14)27(23,24)15-7-8-19-17(13-15)16-5-3-4-6-18(16)26-19/h3-8,13-14H,2,9-12H2,1H3
InChIKeyZRJYAJAXLYEXPJ-UHFFFAOYSA-N
XLogP3.55
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 25263245
CID 25263245
CID 587478
CID 587478
CID 25263244
CID 25263244
CID 2059917
CID 2059917
CID 2919510
CID 2919510
CID 2925016
CID 2925016
CID 3243996
CID 3243996
CID 11835767
CID 11835767
CID 71737619
CID 71737619
CID 559412
CID 559412
CID 2295500
CID 2295500
CID 3240912
CID 3240912

Frequently Asked Questions

What is the IUPAC name of ethyl 1-dibenzofuran-2-ylsulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-dibenzofuran-2-ylsulfonylpiperidine-4-carboxylate (CID 2809743) is ethyl 1-dibenzofuran-2-ylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-dibenzofuran-2-ylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-dibenzofuran-2-ylsulfonylpiperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)c2ccc3oc4ccccc4c3c2)CC1.
What is the InChIKey of ethyl 1-dibenzofuran-2-ylsulfonylpiperidine-4-carboxylate?
The InChIKey is ZRJYAJAXLYEXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5S/c1-2-25-20(22)14-9-11-21(12-10-14)27(23,24)15-7-8-19-17(13-15)16-5-3-4-6-18(16)26-19/h3-8,13-14H,2,9-12H2,1H3.
What are the key properties of ethyl 1-dibenzofuran-2-ylsulfonylpiperidine-4-carboxylate?
ethyl 1-dibenzofuran-2-ylsulfonylpiperidine-4-carboxylate has a molecular weight of 387.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-dibenzofuran-2-ylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 2809743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).