4-(benzenesulfonyl)-2,2-diphenoxy-5-phenyl-3H-furan

C28H22O5S — CID 10983557

IUPAC4-(benzenesulfonyl)-2,2-diphenoxy-5-phenyl-3H-furan
SMILESO=S(=O)(C1=C(c2ccccc2)OC(Oc2ccccc2)(Oc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C28H22O5S/c29-34(30,25-19-11-4-12-20-25)26-21-28(31-23-15-7-2-8-16-23,32-24-17-9-3-10-18-24)33-27(26)22-13-5-1-6-14-22/h1-20H,21H2
InChIKeyZMCPLXDEVMYCSW-UHFFFAOYSA-N
MW470.55 g/mol
LogP6.06
Rot. Bonds7

About 4-(benzenesulfonyl)-2,2-diphenoxy-5-phenyl-3H-furan

4-(benzenesulfonyl)-2,2-diphenoxy-5-phenyl-3H-furan (PubChem CID 10983557) has the molecular formula C28H22O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2,2-diphenoxy-5-phenyl-3H-furan.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2,2-diphenoxy-5-phenyl-3H-furan
PubChem CID10983557
Molecular FormulaC28H22O5S
Molecular Weight470.55 g/mol
Exact Mass470.12
IUPAC Name4-(benzenesulfonyl)-2,2-diphenoxy-5-phenyl-3H-furan
SMILESO=S(=O)(C1=C(c2ccccc2)OC(Oc2ccccc2)(Oc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C28H22O5S/c29-34(30,25-19-11-4-12-20-25)26-21-28(31-23-15-7-2-8-16-23,32-24-17-9-3-10-18-24)33-27(26)22-13-5-1-6-14-22/h1-20H,21H2
InChIKeyZMCPLXDEVMYCSW-UHFFFAOYSA-N
XLogP6.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.55
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,4-dihydropyran
CID 132838054
4-[4-(benzenesulfonyl)-2,2-diphenyl-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide
CID 75968171
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
3-(benzenesulfonyl)-4,5,5-trimethylfuran-2-one
CID 12709521
benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane
CID 67285974
N'-hydroxy-4-[4-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonyl-2,2-diphenyl-3H-furan-5-yl]anilino]benzenecarboximidamide
CID 52949717
3-(benzenesulfonyl)-2,5,5-trimethyl-1-oxa-7,12-dithiaspiro[5.6]dodec-2-ene
CID 134932711
2-(benzenesulfonyl)cyclohexen-1-ol
CID 175687193
4-(benzenesulfonyl)-5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran
CID 10027733
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287
3-(benzenesulfonyl)-4-methyl-2,5-dihydrothiophene 1,1-dioxide
CID 2023350

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2,2-diphenoxy-5-phenyl-3H-furan?
The IUPAC name of 4-(benzenesulfonyl)-2,2-diphenoxy-5-phenyl-3H-furan (CID 10983557) is 4-(benzenesulfonyl)-2,2-diphenoxy-5-phenyl-3H-furan.
What is the SMILES notation for 4-(benzenesulfonyl)-2,2-diphenoxy-5-phenyl-3H-furan?
The canonical SMILES for 4-(benzenesulfonyl)-2,2-diphenoxy-5-phenyl-3H-furan is O=S(=O)(C1=C(c2ccccc2)OC(Oc2ccccc2)(Oc2ccccc2)C1)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-2,2-diphenoxy-5-phenyl-3H-furan?
The InChIKey is ZMCPLXDEVMYCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O5S/c29-34(30,25-19-11-4-12-20-25)26-21-28(31-23-15-7-2-8-16-23,32-24-17-9-3-10-18-24)33-27(26)22-13-5-1-6-14-22/h1-20H,21H2.
What are the key properties of 4-(benzenesulfonyl)-2,2-diphenoxy-5-phenyl-3H-furan?
4-(benzenesulfonyl)-2,2-diphenoxy-5-phenyl-3H-furan has a molecular weight of 470.55 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2,2-diphenoxy-5-phenyl-3H-furan is sourced from PubChem (CID 10983557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).