[2-(benzenesulfonyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]benzene

C18H22O3S — CID 10860113

IUPAC[2-(benzenesulfonyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
SMILESCC(C)(C)OC(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22O3S/c1-18(2,3)21-17(14-15-10-6-4-7-11-15)22(19,20)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
InChIKeyFZWZDOWMFKEERN-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.84
Rot. Bonds5

About [2-(benzenesulfonyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]benzene

[2-(benzenesulfonyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]benzene (PubChem CID 10860113) has the molecular formula C18H22O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is [2-(benzenesulfonyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]benzene.

Molecular Properties

Compound Name[2-(benzenesulfonyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
PubChem CID10860113
Molecular FormulaC18H22O3S
Molecular Weight318.44 g/mol
Exact Mass318.13
IUPAC Name[2-(benzenesulfonyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
SMILESCC(C)(C)OC(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22O3S/c1-18(2,3)21-17(14-15-10-6-4-7-11-15)22(19,20)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
InChIKeyFZWZDOWMFKEERN-UHFFFAOYSA-N
XLogP3.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]benzene?
The IUPAC name of [2-(benzenesulfonyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]benzene (CID 10860113) is [2-(benzenesulfonyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]benzene.
What is the SMILES notation for [2-(benzenesulfonyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]benzene?
The canonical SMILES for [2-(benzenesulfonyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]benzene is CC(C)(C)OC(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [2-(benzenesulfonyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]benzene?
The InChIKey is FZWZDOWMFKEERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3S/c1-18(2,3)21-17(14-15-10-6-4-7-11-15)22(19,20)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3.
What are the key properties of [2-(benzenesulfonyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]benzene?
[2-(benzenesulfonyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]benzene has a molecular weight of 318.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]benzene is sourced from PubChem (CID 10860113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).