2-[1-(benzenesulfonyl)pentyl]-2H-furan-5-one

C15H18O4S — CID 135042582

IUPAC2-[1-(benzenesulfonyl)pentyl]-2H-furan-5-one
SMILESCCCCC(C1C=CC(=O)O1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H18O4S/c1-2-3-9-14(13-10-11-15(16)19-13)20(17,18)12-7-5-4-6-8-12/h4-8,10-11,13-14H,2-3,9H2,1H3
InChIKeyPKJIWFRNBJMWCS-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.50
Rot. Bonds6

About 2-[1-(benzenesulfonyl)pentyl]-2H-furan-5-one

2-[1-(benzenesulfonyl)pentyl]-2H-furan-5-one (PubChem CID 135042582) has the molecular formula C15H18O4S and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)pentyl]-2H-furan-5-one.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)pentyl]-2H-furan-5-one
PubChem CID135042582
Molecular FormulaC15H18O4S
Molecular Weight294.37 g/mol
Exact Mass294.09
IUPAC Name2-[1-(benzenesulfonyl)pentyl]-2H-furan-5-one
SMILESCCCCC(C1C=CC(=O)O1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H18O4S/c1-2-3-9-14(13-10-11-15(16)19-13)20(17,18)12-7-5-4-6-8-12/h4-8,10-11,13-14H,2-3,9H2,1H3
InChIKeyPKJIWFRNBJMWCS-UHFFFAOYSA-N
XLogP2.50
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl (2E)-3-(phenylsulfonyl)prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)pentyl]-2H-furan-5-one?
The IUPAC name of 2-[1-(benzenesulfonyl)pentyl]-2H-furan-5-one (CID 135042582) is 2-[1-(benzenesulfonyl)pentyl]-2H-furan-5-one.
What is the SMILES notation for 2-[1-(benzenesulfonyl)pentyl]-2H-furan-5-one?
The canonical SMILES for 2-[1-(benzenesulfonyl)pentyl]-2H-furan-5-one is CCCCC(C1C=CC(=O)O1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[1-(benzenesulfonyl)pentyl]-2H-furan-5-one?
The InChIKey is PKJIWFRNBJMWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4S/c1-2-3-9-14(13-10-11-15(16)19-13)20(17,18)12-7-5-4-6-8-12/h4-8,10-11,13-14H,2-3,9H2,1H3.
What are the key properties of 2-[1-(benzenesulfonyl)pentyl]-2H-furan-5-one?
2-[1-(benzenesulfonyl)pentyl]-2H-furan-5-one has a molecular weight of 294.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)pentyl]-2H-furan-5-one is sourced from PubChem (CID 135042582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).