1-(benzenesulfonylmethyl)-2-(phenoxymethyl)benzene

C20H18O3S — CID 90995304

IUPAC1-(benzenesulfonylmethyl)-2-(phenoxymethyl)benzene
SMILESO=S(=O)(Cc1ccccc1COc1ccccc1)c1ccccc1
InChIInChI=1S/C20H18O3S/c21-24(22,20-13-5-2-6-14-20)16-18-10-8-7-9-17(18)15-23-19-11-3-1-4-12-19/h1-14H,15-16H2
InChIKeyUCZXDZIZRLSYKR-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.24
Rot. Bonds6

About 1-(benzenesulfonylmethyl)-2-(phenoxymethyl)benzene

1-(benzenesulfonylmethyl)-2-(phenoxymethyl)benzene (PubChem CID 90995304) has the molecular formula C20H18O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-(benzenesulfonylmethyl)-2-(phenoxymethyl)benzene.

Molecular Properties

Compound Name1-(benzenesulfonylmethyl)-2-(phenoxymethyl)benzene
PubChem CID90995304
Molecular FormulaC20H18O3S
Molecular Weight338.43 g/mol
Exact Mass338.10
IUPAC Name1-(benzenesulfonylmethyl)-2-(phenoxymethyl)benzene
SMILESO=S(=O)(Cc1ccccc1COc1ccccc1)c1ccccc1
InChIInChI=1S/C20H18O3S/c21-24(22,20-13-5-2-6-14-20)16-18-10-8-7-9-17(18)15-23-19-11-3-1-4-12-19/h1-14H,15-16H2
InChIKeyUCZXDZIZRLSYKR-UHFFFAOYSA-N
XLogP4.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonylmethyl)-2-(phenoxymethyl)benzene?
The IUPAC name of 1-(benzenesulfonylmethyl)-2-(phenoxymethyl)benzene (CID 90995304) is 1-(benzenesulfonylmethyl)-2-(phenoxymethyl)benzene.
What is the SMILES notation for 1-(benzenesulfonylmethyl)-2-(phenoxymethyl)benzene?
The canonical SMILES for 1-(benzenesulfonylmethyl)-2-(phenoxymethyl)benzene is O=S(=O)(Cc1ccccc1COc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonylmethyl)-2-(phenoxymethyl)benzene?
The InChIKey is UCZXDZIZRLSYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3S/c21-24(22,20-13-5-2-6-14-20)16-18-10-8-7-9-17(18)15-23-19-11-3-1-4-12-19/h1-14H,15-16H2.
What are the key properties of 1-(benzenesulfonylmethyl)-2-(phenoxymethyl)benzene?
1-(benzenesulfonylmethyl)-2-(phenoxymethyl)benzene has a molecular weight of 338.43 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonylmethyl)-2-(phenoxymethyl)benzene is sourced from PubChem (CID 90995304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).