(E)-2-(benzenesulfonyl)-1,5-diphenylpent-2-ene-1,5-diol

C23H22O4S — CID 13446882

IUPAC(E)-2-(benzenesulfonyl)-1,5-diphenylpent-2-ene-1,5-diol
SMILESO=S(=O)(/C(=C/CC(O)c1ccccc1)C(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22O4S/c24-21(18-10-4-1-5-11-18)16-17-22(23(25)19-12-6-2-7-13-19)28(26,27)20-14-8-3-9-15-20/h1-15,17,21,23-25H,16H2/b22-17+
InChIKeyRQDRRCNIDVSUNM-OQKWZONESA-N
MW394.49 g/mol
LogP4.20
Rot. Bonds7

About (E)-2-(benzenesulfonyl)-1,5-diphenylpent-2-ene-1,5-diol

(E)-2-(benzenesulfonyl)-1,5-diphenylpent-2-ene-1,5-diol (PubChem CID 13446882) has the molecular formula C23H22O4S and a molecular weight of 394.49 g/mol. Its IUPAC name is (E)-2-(benzenesulfonyl)-1,5-diphenylpent-2-ene-1,5-diol.

Molecular Properties

Compound Name(E)-2-(benzenesulfonyl)-1,5-diphenylpent-2-ene-1,5-diol
PubChem CID13446882
Molecular FormulaC23H22O4S
Molecular Weight394.49 g/mol
Exact Mass394.12
IUPAC Name(E)-2-(benzenesulfonyl)-1,5-diphenylpent-2-ene-1,5-diol
SMILESO=S(=O)(/C(=C/CC(O)c1ccccc1)C(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22O4S/c24-21(18-10-4-1-5-11-18)16-17-22(23(25)19-12-6-2-7-13-19)28(26,27)20-14-8-3-9-15-20/h1-15,17,21,23-25H,16H2/b22-17+
InChIKeyRQDRRCNIDVSUNM-OQKWZONESA-N
XLogP4.20
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(1R,2S)-1-(4-methylsulfonylphenyl)propane-1,2,3-triol
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CID 1726483

Frequently Asked Questions

What is the IUPAC name of (E)-2-(benzenesulfonyl)-1,5-diphenylpent-2-ene-1,5-diol?
The IUPAC name of (E)-2-(benzenesulfonyl)-1,5-diphenylpent-2-ene-1,5-diol (CID 13446882) is (E)-2-(benzenesulfonyl)-1,5-diphenylpent-2-ene-1,5-diol.
What is the SMILES notation for (E)-2-(benzenesulfonyl)-1,5-diphenylpent-2-ene-1,5-diol?
The canonical SMILES for (E)-2-(benzenesulfonyl)-1,5-diphenylpent-2-ene-1,5-diol is O=S(=O)(/C(=C/CC(O)c1ccccc1)C(O)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2-(benzenesulfonyl)-1,5-diphenylpent-2-ene-1,5-diol?
The InChIKey is RQDRRCNIDVSUNM-OQKWZONESA-N. The full InChI is InChI=1S/C23H22O4S/c24-21(18-10-4-1-5-11-18)16-17-22(23(25)19-12-6-2-7-13-19)28(26,27)20-14-8-3-9-15-20/h1-15,17,21,23-25H,16H2/b22-17+.
What are the key properties of (E)-2-(benzenesulfonyl)-1,5-diphenylpent-2-ene-1,5-diol?
(E)-2-(benzenesulfonyl)-1,5-diphenylpent-2-ene-1,5-diol has a molecular weight of 394.49 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(benzenesulfonyl)-1,5-diphenylpent-2-ene-1,5-diol is sourced from PubChem (CID 13446882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).