1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine

C16H17F2NO5S2 — CID 90590692

IUPAC1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H17F2NO5S2/c17-15-4-3-14(10-16(15)18)26(22,23)19-7-5-13(6-8-19)25(20,21)11-12-2-1-9-24-12/h1-4,9-10,13H,5-8,11H2
InChIKeyXSJUEMQSURJEBS-UHFFFAOYSA-N
MW405.44 g/mol
LogP2.33
Rot. Bonds5

About 1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine

1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine (PubChem CID 90590692) has the molecular formula C16H17F2NO5S2 and a molecular weight of 405.44 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
PubChem CID90590692
Molecular FormulaC16H17F2NO5S2
Molecular Weight405.44 g/mol
Exact Mass405.05
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
SMILESO=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H17F2NO5S2/c17-15-4-3-14(10-16(15)18)26(22,23)19-7-5-13(6-8-19)25(20,21)11-12-2-1-9-24-12/h1-4,9-10,13H,5-8,11H2
InChIKeyXSJUEMQSURJEBS-UHFFFAOYSA-N
XLogP2.33
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine (CID 90590692) is 1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine is O=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
The InChIKey is XSJUEMQSURJEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO5S2/c17-15-4-3-14(10-16(15)18)26(22,23)19-7-5-13(6-8-19)25(20,21)11-12-2-1-9-24-12/h1-4,9-10,13H,5-8,11H2.
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine?
1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine has a molecular weight of 405.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 90590692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).