3,3-bis(benzenesulfonyl)-2-ethoxy-2,4-dihydro-1H-dibenzofuran

C26H24O6S2 — CID 11591354

IUPAC3,3-bis(benzenesulfonyl)-2-ethoxy-2,4-dihydro-1H-dibenzofuran
SMILESCCOC1Cc2c(oc3ccccc23)CC1(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H24O6S2/c1-2-31-25-17-22-21-15-9-10-16-23(21)32-24(22)18-26(25,33(27,28)19-11-5-3-6-12-19)34(29,30)20-13-7-4-8-14-20/h3-16,25H,2,17-18H2,1H3
InChIKeyZUWAKDMFZPQPOA-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.58
Rot. Bonds6

About 3,3-bis(benzenesulfonyl)-2-ethoxy-2,4-dihydro-1H-dibenzofuran

3,3-bis(benzenesulfonyl)-2-ethoxy-2,4-dihydro-1H-dibenzofuran (PubChem CID 11591354) has the molecular formula C26H24O6S2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 3,3-bis(benzenesulfonyl)-2-ethoxy-2,4-dihydro-1H-dibenzofuran.

Molecular Properties

Compound Name3,3-bis(benzenesulfonyl)-2-ethoxy-2,4-dihydro-1H-dibenzofuran
PubChem CID11591354
Molecular FormulaC26H24O6S2
Molecular Weight496.61 g/mol
Exact Mass496.10
IUPAC Name3,3-bis(benzenesulfonyl)-2-ethoxy-2,4-dihydro-1H-dibenzofuran
SMILESCCOC1Cc2c(oc3ccccc23)CC1(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H24O6S2/c1-2-31-25-17-22-21-15-9-10-16-23(21)32-24(22)18-26(25,33(27,28)19-11-5-3-6-12-19)34(29,30)20-13-7-4-8-14-20/h3-16,25H,2,17-18H2,1H3
InChIKeyZUWAKDMFZPQPOA-UHFFFAOYSA-N
XLogP4.58
TPSA90.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(benzenesulfonyl)-2-ethoxy-2,4-dihydro-1H-dibenzofuran?
The IUPAC name of 3,3-bis(benzenesulfonyl)-2-ethoxy-2,4-dihydro-1H-dibenzofuran (CID 11591354) is 3,3-bis(benzenesulfonyl)-2-ethoxy-2,4-dihydro-1H-dibenzofuran.
What is the SMILES notation for 3,3-bis(benzenesulfonyl)-2-ethoxy-2,4-dihydro-1H-dibenzofuran?
The canonical SMILES for 3,3-bis(benzenesulfonyl)-2-ethoxy-2,4-dihydro-1H-dibenzofuran is CCOC1Cc2c(oc3ccccc23)CC1(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 3,3-bis(benzenesulfonyl)-2-ethoxy-2,4-dihydro-1H-dibenzofuran?
The InChIKey is ZUWAKDMFZPQPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O6S2/c1-2-31-25-17-22-21-15-9-10-16-23(21)32-24(22)18-26(25,33(27,28)19-11-5-3-6-12-19)34(29,30)20-13-7-4-8-14-20/h3-16,25H,2,17-18H2,1H3.
What are the key properties of 3,3-bis(benzenesulfonyl)-2-ethoxy-2,4-dihydro-1H-dibenzofuran?
3,3-bis(benzenesulfonyl)-2-ethoxy-2,4-dihydro-1H-dibenzofuran has a molecular weight of 496.61 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(benzenesulfonyl)-2-ethoxy-2,4-dihydro-1H-dibenzofuran is sourced from PubChem (CID 11591354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).