1-butylsulfonyl-4-methoxybenzene

C11H16O3S — CID 12696371

IUPAC1-butylsulfonyl-4-methoxybenzene
SMILESCCCCS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H16O3S/c1-3-4-9-15(12,13)11-7-5-10(14-2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKeyAXBSZFYJJWJXNE-UHFFFAOYSA-N
MW228.31 g/mol
LogP2.27
Rot. Bonds5

About 1-butylsulfonyl-4-methoxybenzene

1-butylsulfonyl-4-methoxybenzene (PubChem CID 12696371) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 1-butylsulfonyl-4-methoxybenzene.

Molecular Properties

Compound Name1-butylsulfonyl-4-methoxybenzene
PubChem CID12696371
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name1-butylsulfonyl-4-methoxybenzene
SMILESCCCCS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H16O3S/c1-3-4-9-15(12,13)11-7-5-10(14-2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKeyAXBSZFYJJWJXNE-UHFFFAOYSA-N
XLogP2.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)sulfonylpropan-1-ol
CID 18411970
1-methoxy-4-(3-phenylpropylsulfonyl)benzene
CID 54270820
1-pentylsulfonyl-4-(4-pentylsulfonylphenyl)benzene
CID 160503976
4-(4-methoxyphenyl)sulfonyl-2-methylbutan-2-amine
CID 117036317
1-(2-azidoethylsulfonyl)-4-methoxybenzene
CID 61396962
tris(butane-1-sulfonic acid);1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene
CID 90698059
4-hexadecylsulfonylbenzenesulfonate
CID 4569543
4-pentylsulfonylphenol
CID 67000666
2-[2-(4-methoxyphenyl)sulfonylethyl]oxirane
CID 162420097
2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol
CID 139892733
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
1-ethyl-4-octylsulfonylbenzene
CID 123657292

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-4-methoxybenzene?
The IUPAC name of 1-butylsulfonyl-4-methoxybenzene (CID 12696371) is 1-butylsulfonyl-4-methoxybenzene.
What is the SMILES notation for 1-butylsulfonyl-4-methoxybenzene?
The canonical SMILES for 1-butylsulfonyl-4-methoxybenzene is CCCCS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 1-butylsulfonyl-4-methoxybenzene?
The InChIKey is AXBSZFYJJWJXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-3-4-9-15(12,13)11-7-5-10(14-2)6-8-11/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 1-butylsulfonyl-4-methoxybenzene?
1-butylsulfonyl-4-methoxybenzene has a molecular weight of 228.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-4-methoxybenzene is sourced from PubChem (CID 12696371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).