1-(benzenesulfonyl)-3-(ethoxymethyl)benzene

C15H16O3S — CID 134455223

IUPAC1-(benzenesulfonyl)-3-(ethoxymethyl)benzene
SMILESCCOCc1cccc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H16O3S/c1-2-18-12-13-7-6-10-15(11-13)19(16,17)14-8-4-3-5-9-14/h3-11H,2,12H2,1H3
InChIKeyCRHIXAKPKSYWHB-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.06
Rot. Bonds5

About 1-(benzenesulfonyl)-3-(ethoxymethyl)benzene

1-(benzenesulfonyl)-3-(ethoxymethyl)benzene (PubChem CID 134455223) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(ethoxymethyl)benzene.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(ethoxymethyl)benzene
PubChem CID134455223
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name1-(benzenesulfonyl)-3-(ethoxymethyl)benzene
SMILESCCOCc1cccc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H16O3S/c1-2-18-12-13-7-6-10-15(11-13)19(16,17)14-8-4-3-5-9-14/h3-11H,2,12H2,1H3
InChIKeyCRHIXAKPKSYWHB-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(ethoxymethyl)benzene?
The IUPAC name of 1-(benzenesulfonyl)-3-(ethoxymethyl)benzene (CID 134455223) is 1-(benzenesulfonyl)-3-(ethoxymethyl)benzene.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(ethoxymethyl)benzene?
The canonical SMILES for 1-(benzenesulfonyl)-3-(ethoxymethyl)benzene is CCOCc1cccc(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-3-(ethoxymethyl)benzene?
The InChIKey is CRHIXAKPKSYWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-2-18-12-13-7-6-10-15(11-13)19(16,17)14-8-4-3-5-9-14/h3-11H,2,12H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-3-(ethoxymethyl)benzene?
1-(benzenesulfonyl)-3-(ethoxymethyl)benzene has a molecular weight of 276.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(ethoxymethyl)benzene is sourced from PubChem (CID 134455223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).