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

C16H18FNO5S2 — CID 71808914

IUPAC1-(2-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C16H18FNO5S2/c17-15-5-1-2-6-16(15)25(21,22)18-9-7-14(8-10-18)24(19,20)12-13-4-3-11-23-13/h1-6,11,14H,7-10,12H2
InChIKeyLRPHDQSCNQJSGT-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.19
Rot. Bonds5

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

1-(2-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine (PubChem CID 71808914) has the molecular formula C16H18FNO5S2 and a molecular weight of 387.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
PubChem CID71808914
Molecular FormulaC16H18FNO5S2
Molecular Weight387.45 g/mol
Exact Mass387.06
IUPAC Name1-(2-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C16H18FNO5S2/c17-15-5-1-2-6-16(15)25(21,22)18-9-7-14(8-10-18)24(19,20)12-13-4-3-11-23-13/h1-6,11,14H,7-10,12H2
InChIKeyLRPHDQSCNQJSGT-UHFFFAOYSA-N
XLogP2.19
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine (CID 71808914) is 1-(2-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine is O=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
The InChIKey is LRPHDQSCNQJSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO5S2/c17-15-5-1-2-6-16(15)25(21,22)18-9-7-14(8-10-18)24(19,20)12-13-4-3-11-23-13/h1-6,11,14H,7-10,12H2.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
1-(2-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine has a molecular weight of 387.45 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 71808914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).