furan-2-ylmethyl 4-piperidin-1-ylsulfonylbenzoate

C17H19NO5S — CID 2221761

IUPACfuran-2-ylmethyl 4-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1ccco1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H19NO5S/c19-17(23-13-15-5-4-12-22-15)14-6-8-16(9-7-14)24(20,21)18-10-2-1-3-11-18/h4-9,12H,1-3,10-11,13H2
InChIKeyZNOQKTISPDTXGP-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.81
Rot. Bonds5

About furan-2-ylmethyl 4-piperidin-1-ylsulfonylbenzoate

furan-2-ylmethyl 4-piperidin-1-ylsulfonylbenzoate (PubChem CID 2221761) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is furan-2-ylmethyl 4-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Namefuran-2-ylmethyl 4-piperidin-1-ylsulfonylbenzoate
PubChem CID2221761
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Namefuran-2-ylmethyl 4-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1ccco1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H19NO5S/c19-17(23-13-15-5-4-12-22-15)14-6-8-16(9-7-14)24(20,21)18-10-2-1-3-11-18/h4-9,12H,1-3,10-11,13H2
InChIKeyZNOQKTISPDTXGP-UHFFFAOYSA-N
XLogP2.81
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 5-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]oxymethyl]furan-2-carboxylate
CID 2569129
2-Furylmethyl 1-[(4-methylphenyl)sulfonyl]prolinate
CID 2975271
2-(4-Fluorophenoxy)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 4796313
1-(3,4-Dimethylphenyl)sulfonylisonipecotic acid (5-carbomethoxy-2-furyl)methyl ester
CID 24686803
2-(4-Methoxyphenyl)acetic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester
CID 25163176
4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-N-methylbenzenesulfonamide
CID 3730213
(3-(2-Furyl)-1-methylpropyl)methyl[(4-methylphenyl)sulfonyl]amine
CID 19583554
(5-Methoxycarbonylfuran-2-yl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 16339020
[2-Oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 5-methylfuran-2-carboxylate
CID 2627212
[2-Oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] furan-2-carboxylate
CID 2640418
[2-Oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 5-bromofuran-2-carboxylate
CID 2645512
Ethyl 3-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-1-benzofuran-2-carboxylate
CID 3244555

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl 4-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of furan-2-ylmethyl 4-piperidin-1-ylsulfonylbenzoate (CID 2221761) is furan-2-ylmethyl 4-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for furan-2-ylmethyl 4-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for furan-2-ylmethyl 4-piperidin-1-ylsulfonylbenzoate is O=C(OCc1ccco1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of furan-2-ylmethyl 4-piperidin-1-ylsulfonylbenzoate?
The InChIKey is ZNOQKTISPDTXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c19-17(23-13-15-5-4-12-22-15)14-6-8-16(9-7-14)24(20,21)18-10-2-1-3-11-18/h4-9,12H,1-3,10-11,13H2.
What are the key properties of furan-2-ylmethyl 4-piperidin-1-ylsulfonylbenzoate?
furan-2-ylmethyl 4-piperidin-1-ylsulfonylbenzoate has a molecular weight of 349.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl 4-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 2221761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).