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

C16H18FNO5S2 — CID 90590680

IUPAC1-(4-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H18FNO5S2/c17-13-3-5-16(6-4-13)25(21,22)18-9-7-15(8-10-18)24(19,20)12-14-2-1-11-23-14/h1-6,11,15H,7-10,12H2
InChIKeyHCHJMCMDTUHOEY-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.19
Rot. Bonds5

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

1-(4-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine (PubChem CID 90590680) has the molecular formula C16H18FNO5S2 and a molecular weight of 387.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
PubChem CID90590680
Molecular FormulaC16H18FNO5S2
Molecular Weight387.45 g/mol
Exact Mass387.06
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H18FNO5S2/c17-13-3-5-16(6-4-13)25(21,22)18-9-7-15(8-10-18)24(19,20)12-14-2-1-11-23-14/h1-6,11,15H,7-10,12H2
InChIKeyHCHJMCMDTUHOEY-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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Related Compounds

4-ethoxy-N-[2-(4-fluorobenzenesulfonyl)-2-(furan-2-yl)ethyl]benzene-1-sulfonamide
CID 16032935
1,1,1-trifluoro-N-((1-(2-(2-fluorophenylsulfonyl)furan-3-ylsulfonyl)piperidin-4-yl)methyl)methanesulfonamide
CID 52946548
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]benzenesulfonamide
CID 16032913
(E)-3-(furan-2-yl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 2569750
N-[2-(Benzenesulfonyl)-2-(furan-2-YL)ethyl]-2,5-difluorobenzene-1-sulfonamide
CID 16032897
1-(2,6-Difluoro-4-methoxyphenyl)sulfonyl-4-(furan-2-ylsulfonyl)piperazine
CID 44543617
1-((2-Fluorophenyl)sulfonyl)-4-((furan-2-ylmethyl)sulfonyl)piperidine
CID 71808914
2,5-difluoro-N-(2-((4-fluorophenyl)sulfonyl)-2-(furan-2-yl)ethyl)benzenesulfonamide
CID 16799724
N-[2-(Benzenesulfonyl)-2-(furan-2-YL)ethyl]-4-fluorobenzene-1-sulfonamide
CID 18574106
N-[2-(4-Fluorobenzenesulfonyl)-2-(furan-2-YL)ethyl]methanesulfonamide
CID 18574141
4-fluoro-N-[2-(4-fluorobenzenesulfonyl)-2-(furan-2-yl)ethyl]benzene-1-sulfonamide
CID 18574144
N-(2-((4-fluorophenyl)sulfonyl)-2-(furan-2-yl)ethyl)ethanesulfonamide
CID 18574145

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine (CID 90590680) is 1-(4-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine is O=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
The InChIKey is HCHJMCMDTUHOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO5S2/c17-13-3-5-16(6-4-13)25(21,22)18-9-7-15(8-10-18)24(19,20)12-14-2-1-11-23-14/h1-6,11,15H,7-10,12H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
1-(4-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-(4-fluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 90590680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).