1-(benzenesulfonylmethyl)-2-(methoxymethyl)benzene

C15H16O3S — CID 122679524

IUPAC1-(benzenesulfonylmethyl)-2-(methoxymethyl)benzene
SMILESCOCc1ccccc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16O3S/c1-18-11-13-7-5-6-8-14(13)12-19(16,17)15-9-3-2-4-10-15/h2-10H,11-12H2,1H3
InChIKeyJOFCOXNZVLUEDZ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.81
Rot. Bonds5

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

1-(benzenesulfonylmethyl)-2-(methoxymethyl)benzene (PubChem CID 122679524) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(benzenesulfonylmethyl)-2-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-(benzenesulfonylmethyl)-2-(methoxymethyl)benzene
PubChem CID122679524
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name1-(benzenesulfonylmethyl)-2-(methoxymethyl)benzene
SMILESCOCc1ccccc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16O3S/c1-18-11-13-7-5-6-8-14(13)12-19(16,17)15-9-3-2-4-10-15/h2-10H,11-12H2,1H3
InChIKeyJOFCOXNZVLUEDZ-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonylmethyl)-2-(phenoxymethyl)benzene
CID 90995304
[2-(methoxymethyl)phenyl]methyl trifluoromethanesulfonate
CID 102621545
4-(benzenesulfonylmethyl)-3-ethylpyridine
CID 10422775
2-(benzenesulfonylmethyl)-4,5-dimethoxybenzaldehyde
CID 102531525
methyl 2-(benzenesulfonylmethyl)-5-[4-(benzenesulfonylmethyl)-3-methoxycarbonylphenyl]benzoate
CID 25171997
2-(benzenesulfonylmethyl)-4-methoxybenzaldehyde
CID 10935159
CID 123655745
CID 123655745
1-[2-(methoxymethyl)phenyl]propan-2-one
CID 83874886
2-(benzenesulfonylmethyl)-4-methoxybenzonitrile
CID 11808311
lithium;hydride;methoxymethylbenzene
CID 174456658
trimethyl-[[2-[(4-methylphenyl)sulfonylmethyl]phenyl]methyl]silane
CID 14935093
3-(benzenesulfonylmethyl)-7-methoxy-1H-indole
CID 146164758

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonylmethyl)-2-(methoxymethyl)benzene?
The IUPAC name of 1-(benzenesulfonylmethyl)-2-(methoxymethyl)benzene (CID 122679524) is 1-(benzenesulfonylmethyl)-2-(methoxymethyl)benzene.
What is the SMILES notation for 1-(benzenesulfonylmethyl)-2-(methoxymethyl)benzene?
The canonical SMILES for 1-(benzenesulfonylmethyl)-2-(methoxymethyl)benzene is COCc1ccccc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonylmethyl)-2-(methoxymethyl)benzene?
The InChIKey is JOFCOXNZVLUEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-18-11-13-7-5-6-8-14(13)12-19(16,17)15-9-3-2-4-10-15/h2-10H,11-12H2,1H3.
What are the key properties of 1-(benzenesulfonylmethyl)-2-(methoxymethyl)benzene?
1-(benzenesulfonylmethyl)-2-(methoxymethyl)benzene has a molecular weight of 276.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonylmethyl)-2-(methoxymethyl)benzene is sourced from PubChem (CID 122679524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).