4-(benzenesulfonyl)-5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran

C23H20O4SSe — CID 10027733

IUPAC4-(benzenesulfonyl)-5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran
SMILESO=[Se](CC1CC(S(=O)(=O)c2ccccc2)=C(c2ccccc2)O1)c1ccccc1
InChIInChI=1S/C23H20O4SSe/c24-28(25,20-12-6-2-7-13-20)22-16-19(17-29(26)21-14-8-3-9-15-21)27-23(22)18-10-4-1-5-11-18/h1-15,19H,16-17H2
InChIKeyWABLGSJJQXJQLH-UHFFFAOYSA-N
MW471.44 g/mol
LogP3.95
Rot. Bonds6

About 4-(benzenesulfonyl)-5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran

4-(benzenesulfonyl)-5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran (PubChem CID 10027733) has the molecular formula C23H20O4SSe and a molecular weight of 471.44 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran.

Molecular Properties

Compound Name4-(benzenesulfonyl)-5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran
PubChem CID10027733
Molecular FormulaC23H20O4SSe
Molecular Weight471.44 g/mol
Exact Mass472.02
IUPAC Name4-(benzenesulfonyl)-5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran
SMILESO=[Se](CC1CC(S(=O)(=O)c2ccccc2)=C(c2ccccc2)O1)c1ccccc1
InChIInChI=1S/C23H20O4SSe/c24-28(25,20-12-6-2-7-13-20)22-16-19(17-29(26)21-14-8-3-9-15-21)27-23(22)18-10-4-1-5-11-18/h1-15,19H,16-17H2
InChIKeyWABLGSJJQXJQLH-UHFFFAOYSA-N
XLogP3.95
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran-4-carbonitrile
CID 10450890
4-(3-methylphenyl)sulfonyl-2-(methylsulfanylmethyl)-5-phenyl-2,3-dihydrofuran
CID 171059867
4-(4-bromophenyl)sulfonyl-5-(4-methoxyphenyl)-2-(methylsulfanylmethyl)-2,3-dihydrofuran
CID 171059883
5-(benzenesulfonyl)-6-methyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran
CID 72741045
4-(benzenesulfonyl)-2,2-diphenoxy-5-phenyl-3H-furan
CID 10983557
3-(4-methylphenyl)sulfonyl-5-[2-[4-(4-methylphenyl)sulfonyl-5-phenyl-2,3-dihydrofuran-2-yl]ethenyl]-2-phenylfuran;palladium;triphenylphosphanium
CID 146164037
3-(bromomethyl)-5-(4-chlorophenyl)sulfonyl-1-(2-methylphenyl)-4-phenyl-3,6-dihydro-2H-pyridine
CID 175408515
2-[[4-(benzenesulfonyl)phenyl]methyl]oxirane
CID 19431355
2,2-dimethyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,4-dihydropyran
CID 132838054
3-(benzenesulfonyl)-4-methyl-2,5-dihydrothiophene 1,1-dioxide
CID 2023350
2,5-bis(benzenesulfonyl)-1,3a,4,6a-tetrahydropentalene
CID 22298015
benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane
CID 67285974

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran?
The IUPAC name of 4-(benzenesulfonyl)-5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran (CID 10027733) is 4-(benzenesulfonyl)-5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran.
What is the SMILES notation for 4-(benzenesulfonyl)-5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran?
The canonical SMILES for 4-(benzenesulfonyl)-5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran is O=[Se](CC1CC(S(=O)(=O)c2ccccc2)=C(c2ccccc2)O1)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran?
The InChIKey is WABLGSJJQXJQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4SSe/c24-28(25,20-12-6-2-7-13-20)22-16-19(17-29(26)21-14-8-3-9-15-21)27-23(22)18-10-4-1-5-11-18/h1-15,19H,16-17H2.
What are the key properties of 4-(benzenesulfonyl)-5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran?
4-(benzenesulfonyl)-5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran has a molecular weight of 471.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran is sourced from PubChem (CID 10027733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).