1-(2-ethoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine

C24H31FN2O4S — CID 90617008

IUPAC1-(2-ethoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine
SMILESCCOc1ccccc1S(=O)(=O)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1
InChIInChI=1S/C24H31FN2O4S/c1-2-30-23-9-5-6-10-24(23)32(28,29)27-17-11-19(12-18-27)26-15-13-20(14-16-26)31-22-8-4-3-7-21(22)25/h3-10,19-20H,2,11-18H2,1H3
InChIKeyHBKOCYNHCGHIBL-UHFFFAOYSA-N
MW462.59 g/mol
LogP3.92
Rot. Bonds7

About 1-(2-ethoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine

1-(2-ethoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine (PubChem CID 90617008) has the molecular formula C24H31FN2O4S and a molecular weight of 462.59 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine
PubChem CID90617008
Molecular FormulaC24H31FN2O4S
Molecular Weight462.59 g/mol
Exact Mass462.20
IUPAC Name1-(2-ethoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine
SMILESCCOc1ccccc1S(=O)(=O)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1
InChIInChI=1S/C24H31FN2O4S/c1-2-30-23-9-5-6-10-24(23)32(28,29)27-17-11-19(12-18-27)26-15-13-20(14-16-26)31-22-8-4-3-7-21(22)25/h3-10,19-20H,2,11-18H2,1H3
InChIKeyHBKOCYNHCGHIBL-UHFFFAOYSA-N
XLogP3.92
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine?
The IUPAC name of 1-(2-ethoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine (CID 90617008) is 1-(2-ethoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine.
What is the SMILES notation for 1-(2-ethoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine?
The canonical SMILES for 1-(2-ethoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine is CCOc1ccccc1S(=O)(=O)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine?
The InChIKey is HBKOCYNHCGHIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O4S/c1-2-30-23-9-5-6-10-24(23)32(28,29)27-17-11-19(12-18-27)26-15-13-20(14-16-26)31-22-8-4-3-7-21(22)25/h3-10,19-20H,2,11-18H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine?
1-(2-ethoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine has a molecular weight of 462.59 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine is sourced from PubChem (CID 90617008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).