3-(benzenesulfonyl)-5-(benzenesulfonylmethyl)-2-methoxyfuran

C18H16O6S2 — CID 15723433

IUPAC3-(benzenesulfonyl)-5-(benzenesulfonylmethyl)-2-methoxyfuran
SMILESCOc1oc(CS(=O)(=O)c2ccccc2)cc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H16O6S2/c1-23-18-17(26(21,22)16-10-6-3-7-11-16)12-14(24-18)13-25(19,20)15-8-4-2-5-9-15/h2-12H,13H2,1H3
InChIKeyVCGPZGYCDFHIFO-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.09
Rot. Bonds6

About 3-(benzenesulfonyl)-5-(benzenesulfonylmethyl)-2-methoxyfuran

3-(benzenesulfonyl)-5-(benzenesulfonylmethyl)-2-methoxyfuran (PubChem CID 15723433) has the molecular formula C18H16O6S2 and a molecular weight of 392.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5-(benzenesulfonylmethyl)-2-methoxyfuran.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5-(benzenesulfonylmethyl)-2-methoxyfuran
PubChem CID15723433
Molecular FormulaC18H16O6S2
Molecular Weight392.45 g/mol
Exact Mass392.04
IUPAC Name3-(benzenesulfonyl)-5-(benzenesulfonylmethyl)-2-methoxyfuran
SMILESCOc1oc(CS(=O)(=O)c2ccccc2)cc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H16O6S2/c1-23-18-17(26(21,22)16-10-6-3-7-11-16)12-14(24-18)13-25(19,20)15-8-4-2-5-9-15/h2-12H,13H2,1H3
InChIKeyVCGPZGYCDFHIFO-UHFFFAOYSA-N
XLogP3.09
TPSA90.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5-(benzenesulfonylmethyl)-2-methoxyfuran?
The IUPAC name of 3-(benzenesulfonyl)-5-(benzenesulfonylmethyl)-2-methoxyfuran (CID 15723433) is 3-(benzenesulfonyl)-5-(benzenesulfonylmethyl)-2-methoxyfuran.
What is the SMILES notation for 3-(benzenesulfonyl)-5-(benzenesulfonylmethyl)-2-methoxyfuran?
The canonical SMILES for 3-(benzenesulfonyl)-5-(benzenesulfonylmethyl)-2-methoxyfuran is COc1oc(CS(=O)(=O)c2ccccc2)cc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-5-(benzenesulfonylmethyl)-2-methoxyfuran?
The InChIKey is VCGPZGYCDFHIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6S2/c1-23-18-17(26(21,22)16-10-6-3-7-11-16)12-14(24-18)13-25(19,20)15-8-4-2-5-9-15/h2-12H,13H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-5-(benzenesulfonylmethyl)-2-methoxyfuran?
3-(benzenesulfonyl)-5-(benzenesulfonylmethyl)-2-methoxyfuran has a molecular weight of 392.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-5-(benzenesulfonylmethyl)-2-methoxyfuran is sourced from PubChem (CID 15723433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).