[2-(benzenesulfonyl)-2-methoxyethyl]benzene

C15H16O3S — CID 13215960

IUPAC[2-(benzenesulfonyl)-2-methoxyethyl]benzene
SMILESCOC(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16O3S/c1-18-15(12-13-8-4-2-5-9-13)19(16,17)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKeyLBOHUFCKKBWVCI-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.68
Rot. Bonds5

About [2-(benzenesulfonyl)-2-methoxyethyl]benzene

[2-(benzenesulfonyl)-2-methoxyethyl]benzene (PubChem CID 13215960) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is [2-(benzenesulfonyl)-2-methoxyethyl]benzene.

Molecular Properties

Compound Name[2-(benzenesulfonyl)-2-methoxyethyl]benzene
PubChem CID13215960
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name[2-(benzenesulfonyl)-2-methoxyethyl]benzene
SMILESCOC(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16O3S/c1-18-15(12-13-8-4-2-5-9-13)19(16,17)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKeyLBOHUFCKKBWVCI-UHFFFAOYSA-N
XLogP2.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonyl)-2-methoxyethyl]benzene?
The IUPAC name of [2-(benzenesulfonyl)-2-methoxyethyl]benzene (CID 13215960) is [2-(benzenesulfonyl)-2-methoxyethyl]benzene.
What is the SMILES notation for [2-(benzenesulfonyl)-2-methoxyethyl]benzene?
The canonical SMILES for [2-(benzenesulfonyl)-2-methoxyethyl]benzene is COC(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [2-(benzenesulfonyl)-2-methoxyethyl]benzene?
The InChIKey is LBOHUFCKKBWVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-18-15(12-13-8-4-2-5-9-13)19(16,17)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3.
What are the key properties of [2-(benzenesulfonyl)-2-methoxyethyl]benzene?
[2-(benzenesulfonyl)-2-methoxyethyl]benzene has a molecular weight of 276.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonyl)-2-methoxyethyl]benzene is sourced from PubChem (CID 13215960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).