2-(benzenesulfinyl)-1,2-diphenylethanone

C20H16O2S — CID 11131014

IUPAC2-(benzenesulfinyl)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(c1ccccc1)S(=O)c1ccccc1
InChIInChI=1S/C20H16O2S/c21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)23(22)18-14-8-3-9-15-18/h1-15,20H
InChIKeyZVPQEJRSCMJDFW-UHFFFAOYSA-N
MW320.41 g/mol
LogP4.42
Rot. Bonds5

About 2-(benzenesulfinyl)-1,2-diphenylethanone

2-(benzenesulfinyl)-1,2-diphenylethanone (PubChem CID 11131014) has the molecular formula C20H16O2S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-1,2-diphenylethanone.

Molecular Properties

Compound Name2-(benzenesulfinyl)-1,2-diphenylethanone
PubChem CID11131014
Molecular FormulaC20H16O2S
Molecular Weight320.41 g/mol
Exact Mass320.09
IUPAC Name2-(benzenesulfinyl)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(c1ccccc1)S(=O)c1ccccc1
InChIInChI=1S/C20H16O2S/c21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)23(22)18-14-8-3-9-15-18/h1-15,20H
InChIKeyZVPQEJRSCMJDFW-UHFFFAOYSA-N
XLogP4.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[carboxy(phenyl)methyl]sulfinylbenzoic acid
CID 3643906
2-(4-bromophenyl)-2-oxo-1-phenylethanesulfinic acid
CID 57085057
2-hydroxy-1,2-diphenylethanone
CID 159399559
(3R)-3-phenyl-3-[(R)-phenylsulfinyl]propanoic acid
CID 95909198
(2R)-2-(benzenesulfinyl)propanoic acid
CID 100915860
benzoic acid;diphenylmethanamine
CID 3075109
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
benzoic acid;λ2-plumbane
CID 174927932
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
trimethyl-(2-oxo-1,2-diphenylethyl)azanium bromide
CID 87920507
2-(benzenesulfinyl)-2-fluoro-1-phenylethanol
CID 10967379

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-1,2-diphenylethanone?
The IUPAC name of 2-(benzenesulfinyl)-1,2-diphenylethanone (CID 11131014) is 2-(benzenesulfinyl)-1,2-diphenylethanone.
What is the SMILES notation for 2-(benzenesulfinyl)-1,2-diphenylethanone?
The canonical SMILES for 2-(benzenesulfinyl)-1,2-diphenylethanone is O=C(c1ccccc1)C(c1ccccc1)S(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfinyl)-1,2-diphenylethanone?
The InChIKey is ZVPQEJRSCMJDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2S/c21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)23(22)18-14-8-3-9-15-18/h1-15,20H.
What are the key properties of 2-(benzenesulfinyl)-1,2-diphenylethanone?
2-(benzenesulfinyl)-1,2-diphenylethanone has a molecular weight of 320.41 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-1,2-diphenylethanone is sourced from PubChem (CID 11131014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).