ethyl 4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylate

C20H23NO5S — CID 11626037

IUPACethyl 4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCNCC1
InChIInChI=1S/C20H23NO5S/c1-2-25-19(22)20(12-14-21-15-13-20)27(23,24)18-10-8-17(9-11-18)26-16-6-4-3-5-7-16/h3-11,21H,2,12-15H2,1H3
InChIKeyLOVDPDYLOZGLFW-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.94
Rot. Bonds6

About ethyl 4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylate

ethyl 4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 11626037) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is ethyl 4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID11626037
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Nameethyl 4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCNCC1
InChIInChI=1S/C20H23NO5S/c1-2-25-19(22)20(12-14-21-15-13-20)27(23,24)18-10-8-17(9-11-18)26-16-6-4-3-5-7-16/h3-11,21H,2,12-15H2,1H3
InChIKeyLOVDPDYLOZGLFW-UHFFFAOYSA-N
XLogP2.94
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylate (CID 11626037) is ethyl 4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylate is CCOC(=O)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCNCC1.
What is the InChIKey of ethyl 4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is LOVDPDYLOZGLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-2-25-19(22)20(12-14-21-15-13-20)27(23,24)18-10-8-17(9-11-18)26-16-6-4-3-5-7-16/h3-11,21H,2,12-15H2,1H3.
What are the key properties of ethyl 4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylate?
ethyl 4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 389.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 11626037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).