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4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine

C23H25NO6S2 — CID 90590757

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(S(=O)(=O)Cc4ccco4)CC3)cc2)cc1
InChIInChI=1S/C23H25NO6S2/c1-29-20-8-4-18(5-9-20)19-6-10-23(11-7-19)32(27,28)24-14-12-22(13-15-24)31(25,26)17-21-3-2-16-30-21/h2-11,16,22H,12-15,17H2,1H3
InChIKeyIMGQBRSEFFXILC-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.72
Rot. Bonds7

About 4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine

4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine (PubChem CID 90590757) has the molecular formula C23H25NO6S2 and a molecular weight of 475.59 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine
PubChem CID90590757
Molecular FormulaC23H25NO6S2
Molecular Weight475.59 g/mol
Exact Mass475.11
IUPAC Name4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCC(S(=O)(=O)Cc4ccco4)CC3)cc2)cc1
InChIInChI=1S/C23H25NO6S2/c1-29-20-8-4-18(5-9-20)19-6-10-23(11-7-19)32(27,28)24-14-12-22(13-15-24)31(25,26)17-21-3-2-16-30-21/h2-11,16,22H,12-15,17H2,1H3
InChIKeyIMGQBRSEFFXILC-UHFFFAOYSA-N
XLogP3.72
TPSA93.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine?
The IUPAC name of 4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine (CID 90590757) is 4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine is COc1ccc(-c2ccc(S(=O)(=O)N3CCC(S(=O)(=O)Cc4ccco4)CC3)cc2)cc1.
What is the InChIKey of 4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine?
The InChIKey is IMGQBRSEFFXILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO6S2/c1-29-20-8-4-18(5-9-20)19-6-10-23(11-7-19)32(27,28)24-14-12-22(13-15-24)31(25,26)17-21-3-2-16-30-21/h2-11,16,22H,12-15,17H2,1H3.
What are the key properties of 4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine?
4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine has a molecular weight of 475.59 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 90590757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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