1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine

C20H24FNO5S2 — CID 72718850

IUPAC1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(S(=O)(=O)c3ccc(F)cc3)C2)cc1C
InChIInChI=1S/C20H24FNO5S2/c1-3-27-20-11-10-18(13-15(20)2)29(25,26)22-12-4-5-19(14-22)28(23,24)17-8-6-16(21)7-9-17/h6-11,13,19H,3-5,12,14H2,1-2H3
InChIKeyVENYGOLUWQXNSW-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.16
Rot. Bonds6

About 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine

1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine (PubChem CID 72718850) has the molecular formula C20H24FNO5S2 and a molecular weight of 441.55 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine
PubChem CID72718850
Molecular FormulaC20H24FNO5S2
Molecular Weight441.55 g/mol
Exact Mass441.11
IUPAC Name1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(S(=O)(=O)c3ccc(F)cc3)C2)cc1C
InChIInChI=1S/C20H24FNO5S2/c1-3-27-20-11-10-18(13-15(20)2)29(25,26)22-12-4-5-19(14-22)28(23,24)17-8-6-16(21)7-9-17/h6-11,13,19H,3-5,12,14H2,1-2H3
InChIKeyVENYGOLUWQXNSW-UHFFFAOYSA-N
XLogP3.16
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine (CID 72718850) is 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine is CCOc1ccc(S(=O)(=O)N2CCCC(S(=O)(=O)c3ccc(F)cc3)C2)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine?
The InChIKey is VENYGOLUWQXNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO5S2/c1-3-27-20-11-10-18(13-15(20)2)29(25,26)22-12-4-5-19(14-22)28(23,24)17-8-6-16(21)7-9-17/h6-11,13,19H,3-5,12,14H2,1-2H3.
What are the key properties of 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine?
1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine has a molecular weight of 441.55 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 72718850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).