(2Z)-2-(benzenesulfonylmethylidene)-5-phenyloxolane

C17H16O3S — CID 102227456

IUPAC(2Z)-2-(benzenesulfonylmethylidene)-5-phenyloxolane
SMILESO=S(=O)(/C=C1/CCC(c2ccccc2)O1)c1ccccc1
InChIInChI=1S/C17H16O3S/c18-21(19,16-9-5-2-6-10-16)13-15-11-12-17(20-15)14-7-3-1-4-8-14/h1-10,13,17H,11-12H2/b15-13-
InChIKeyGVNHKYCMKXJYHL-SQFISAMPSA-N
MW300.38 g/mol
LogP3.85
Rot. Bonds3

About (2Z)-2-(benzenesulfonylmethylidene)-5-phenyloxolane

(2Z)-2-(benzenesulfonylmethylidene)-5-phenyloxolane (PubChem CID 102227456) has the molecular formula C17H16O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is (2Z)-2-(benzenesulfonylmethylidene)-5-phenyloxolane.

Molecular Properties

Compound Name(2Z)-2-(benzenesulfonylmethylidene)-5-phenyloxolane
PubChem CID102227456
Molecular FormulaC17H16O3S
Molecular Weight300.38 g/mol
Exact Mass300.08
IUPAC Name(2Z)-2-(benzenesulfonylmethylidene)-5-phenyloxolane
SMILESO=S(=O)(/C=C1/CCC(c2ccccc2)O1)c1ccccc1
InChIInChI=1S/C17H16O3S/c18-21(19,16-9-5-2-6-10-16)13-15-11-12-17(20-15)14-7-3-1-4-8-14/h1-10,13,17H,11-12H2/b15-13-
InChIKeyGVNHKYCMKXJYHL-SQFISAMPSA-N
XLogP3.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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US8815951, Epoxide Hydrolase Inhibitor 4
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Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (Z)-
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Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (E)-
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2-(4-Methanesulfonylphenyl)oxirane
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(1R)-3-(benzenesulfonyl)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol
CID 44264640
5-(Benzenesulfonyl)-2,3-diphenyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 44421527
(3Z)-3-[(4-methylphenyl)sulfonylmethylidene]-1H-2-benzofuran
CID 53384059
2-(Benzenesulfonyl)-3-(4-fluorophenyl)oxirane
CID 73345888
1-methyl-4-[(E)-3-phenylmethoxyprop-1-enyl]sulfonylbenzene
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[3-(Benzenesulfonyl)-2,2-difluoro-1-phenylbut-3-enoxy]methylbenzene
CID 72708013

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(benzenesulfonylmethylidene)-5-phenyloxolane?
The IUPAC name of (2Z)-2-(benzenesulfonylmethylidene)-5-phenyloxolane (CID 102227456) is (2Z)-2-(benzenesulfonylmethylidene)-5-phenyloxolane.
What is the SMILES notation for (2Z)-2-(benzenesulfonylmethylidene)-5-phenyloxolane?
The canonical SMILES for (2Z)-2-(benzenesulfonylmethylidene)-5-phenyloxolane is O=S(=O)(/C=C1/CCC(c2ccccc2)O1)c1ccccc1.
What is the InChIKey of (2Z)-2-(benzenesulfonylmethylidene)-5-phenyloxolane?
The InChIKey is GVNHKYCMKXJYHL-SQFISAMPSA-N. The full InChI is InChI=1S/C17H16O3S/c18-21(19,16-9-5-2-6-10-16)13-15-11-12-17(20-15)14-7-3-1-4-8-14/h1-10,13,17H,11-12H2/b15-13-.
What are the key properties of (2Z)-2-(benzenesulfonylmethylidene)-5-phenyloxolane?
(2Z)-2-(benzenesulfonylmethylidene)-5-phenyloxolane has a molecular weight of 300.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(benzenesulfonylmethylidene)-5-phenyloxolane is sourced from PubChem (CID 102227456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).