1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine

C18H22FNO6S2 — CID 71808923

IUPAC1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1F
InChIInChI=1S/C18H22FNO6S2/c1-2-25-18-6-5-16(12-17(18)19)28(23,24)20-9-7-15(8-10-20)27(21,22)13-14-4-3-11-26-14/h3-6,11-12,15H,2,7-10,13H2,1H3
InChIKeyZRCBWGHSLGHPHB-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.59
Rot. Bonds7

About 1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine

1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine (PubChem CID 71808923) has the molecular formula C18H22FNO6S2 and a molecular weight of 431.51 g/mol. Its IUPAC name is 1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
PubChem CID71808923
Molecular FormulaC18H22FNO6S2
Molecular Weight431.51 g/mol
Exact Mass431.09
IUPAC Name1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1F
InChIInChI=1S/C18H22FNO6S2/c1-2-25-18-6-5-16(12-17(18)19)28(23,24)20-9-7-15(8-10-20)27(21,22)13-14-4-3-11-26-14/h3-6,11-12,15H,2,7-10,13H2,1H3
InChIKeyZRCBWGHSLGHPHB-UHFFFAOYSA-N
XLogP2.59
TPSA93.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
The IUPAC name of 1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine (CID 71808923) is 1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
The canonical SMILES for 1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine is CCOc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1F.
What is the InChIKey of 1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
The InChIKey is ZRCBWGHSLGHPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO6S2/c1-2-25-18-6-5-16(12-17(18)19)28(23,24)20-9-7-15(8-10-20)27(21,22)13-14-4-3-11-26-14/h3-6,11-12,15H,2,7-10,13H2,1H3.
What are the key properties of 1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine has a molecular weight of 431.51 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 71808923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).