1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(furan-2-ylmethylsulfanylmethyl)piperidine

C18H22FNO4S2 — CID 71801144

IUPAC1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(furan-2-ylmethylsulfanylmethyl)piperidine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC(CSCc2ccco2)CC1
InChIInChI=1S/C18H22FNO4S2/c1-23-17-5-4-15(19)11-18(17)26(21,22)20-8-6-14(7-9-20)12-25-13-16-3-2-10-24-16/h2-5,10-11,14H,6-9,12-13H2,1H3
InChIKeyNZCTZXCDIOMGFY-UHFFFAOYSA-N
MW399.51 g/mol
LogP3.76
Rot. Bonds7

About 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(furan-2-ylmethylsulfanylmethyl)piperidine

1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(furan-2-ylmethylsulfanylmethyl)piperidine (PubChem CID 71801144) has the molecular formula C18H22FNO4S2 and a molecular weight of 399.51 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(furan-2-ylmethylsulfanylmethyl)piperidine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(furan-2-ylmethylsulfanylmethyl)piperidine
PubChem CID71801144
Molecular FormulaC18H22FNO4S2
Molecular Weight399.51 g/mol
Exact Mass399.10
IUPAC Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(furan-2-ylmethylsulfanylmethyl)piperidine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC(CSCc2ccco2)CC1
InChIInChI=1S/C18H22FNO4S2/c1-23-17-5-4-15(19)11-18(17)26(21,22)20-8-6-14(7-9-20)12-25-13-16-3-2-10-24-16/h2-5,10-11,14H,6-9,12-13H2,1H3
InChIKeyNZCTZXCDIOMGFY-UHFFFAOYSA-N
XLogP3.76
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(furan-2-ylmethylsulfanylmethyl)piperidine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(furan-2-ylmethylsulfanylmethyl)piperidine (CID 71801144) is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(furan-2-ylmethylsulfanylmethyl)piperidine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(furan-2-ylmethylsulfanylmethyl)piperidine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(furan-2-ylmethylsulfanylmethyl)piperidine is COc1ccc(F)cc1S(=O)(=O)N1CCC(CSCc2ccco2)CC1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(furan-2-ylmethylsulfanylmethyl)piperidine?
The InChIKey is NZCTZXCDIOMGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO4S2/c1-23-17-5-4-15(19)11-18(17)26(21,22)20-8-6-14(7-9-20)12-25-13-16-3-2-10-24-16/h2-5,10-11,14H,6-9,12-13H2,1H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(furan-2-ylmethylsulfanylmethyl)piperidine?
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(furan-2-ylmethylsulfanylmethyl)piperidine has a molecular weight of 399.51 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(furan-2-ylmethylsulfanylmethyl)piperidine is sourced from PubChem (CID 71801144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).