(2E)-2-(benzenesulfonylmethylidene)-5-benzyloxolane

C18H18O3S — CID 15417456

IUPAC(2E)-2-(benzenesulfonylmethylidene)-5-benzyloxolane
SMILESO=S(=O)(/C=C1\CCC(Cc2ccccc2)O1)c1ccccc1
InChIInChI=1S/C18H18O3S/c19-22(20,18-9-5-2-6-10-18)14-17-12-11-16(21-17)13-15-7-3-1-4-8-15/h1-10,14,16H,11-13H2/b17-14+
InChIKeyTWXYRQLUPCCVQY-SAPNQHFASA-N
MW314.41 g/mol
LogP3.72
Rot. Bonds4

About (2E)-2-(benzenesulfonylmethylidene)-5-benzyloxolane

(2E)-2-(benzenesulfonylmethylidene)-5-benzyloxolane (PubChem CID 15417456) has the molecular formula C18H18O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is (2E)-2-(benzenesulfonylmethylidene)-5-benzyloxolane.

Molecular Properties

Compound Name(2E)-2-(benzenesulfonylmethylidene)-5-benzyloxolane
PubChem CID15417456
Molecular FormulaC18H18O3S
Molecular Weight314.41 g/mol
Exact Mass314.10
IUPAC Name(2E)-2-(benzenesulfonylmethylidene)-5-benzyloxolane
SMILESO=S(=O)(/C=C1\CCC(Cc2ccccc2)O1)c1ccccc1
InChIInChI=1S/C18H18O3S/c19-22(20,18-9-5-2-6-10-18)14-17-12-11-16(21-17)13-15-7-3-1-4-8-15/h1-10,14,16H,11-13H2/b17-14+
InChIKeyTWXYRQLUPCCVQY-SAPNQHFASA-N
XLogP3.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Sulfonium, dimethyl(3-(tetrahydro-2-furanyl)propyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
CID 3062274
5-(Benzenesulfonyl)-2,3-diphenyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 44421527
(3S)-3-fluoro-3-(4-methylsulfonylphenyl)oxolane
CID 162398286
(E)-4-(benzenesulfonyl)-1-phenylbut-3-en-1-ol
CID 13446897
2-(Benzenesulfonyl)-2-phenylethanol
CID 90078990
4-(4-Methylsulfonylphenyl)-3-phenyl-5h-furan
CID 101000336
O-(2-phenylethyl) [1-(benzenesulfonyl)-3,3,3-trifluoropropyl]sulfanylmethanethioate
CID 101135320
3-(3-fluorophenyl)-5,5-dimethyl-2-methylsulfanyl-4-(4-methylsulfonylphenyl)-2H-furan
CID 18788478
4-(3-fluorophenyl)-2,2-dimethyl-3-(4-methylsulfonylphenyl)-3H-furan
CID 69329400
3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan
CID 69329401
4-(3,4-difluorophenyl)-2-ethyl-2-methyl-3-(4-methylsulfonylphenyl)-3H-furan
CID 69966158
3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-2H-furan
CID 69966160

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(benzenesulfonylmethylidene)-5-benzyloxolane?
The IUPAC name of (2E)-2-(benzenesulfonylmethylidene)-5-benzyloxolane (CID 15417456) is (2E)-2-(benzenesulfonylmethylidene)-5-benzyloxolane.
What is the SMILES notation for (2E)-2-(benzenesulfonylmethylidene)-5-benzyloxolane?
The canonical SMILES for (2E)-2-(benzenesulfonylmethylidene)-5-benzyloxolane is O=S(=O)(/C=C1\CCC(Cc2ccccc2)O1)c1ccccc1.
What is the InChIKey of (2E)-2-(benzenesulfonylmethylidene)-5-benzyloxolane?
The InChIKey is TWXYRQLUPCCVQY-SAPNQHFASA-N. The full InChI is InChI=1S/C18H18O3S/c19-22(20,18-9-5-2-6-10-18)14-17-12-11-16(21-17)13-15-7-3-1-4-8-15/h1-10,14,16H,11-13H2/b17-14+.
What are the key properties of (2E)-2-(benzenesulfonylmethylidene)-5-benzyloxolane?
(2E)-2-(benzenesulfonylmethylidene)-5-benzyloxolane has a molecular weight of 314.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(benzenesulfonylmethylidene)-5-benzyloxolane is sourced from PubChem (CID 15417456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).