3-(2-methoxyphenyl)sulfonylbutan-2-one

C11H14O4S — CID 64637155

IUPAC3-(2-methoxyphenyl)sulfonylbutan-2-one
SMILESCOc1ccccc1S(=O)(=O)C(C)C(C)=O
InChIInChI=1S/C11H14O4S/c1-8(12)9(2)16(13,14)11-7-5-4-6-10(11)15-3/h4-7,9H,1-3H3
InChIKeyFVRRPTDUVJCLPP-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.45
Rot. Bonds4

About 3-(2-methoxyphenyl)sulfonylbutan-2-one

3-(2-methoxyphenyl)sulfonylbutan-2-one (PubChem CID 64637155) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)sulfonylbutan-2-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)sulfonylbutan-2-one
PubChem CID64637155
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name3-(2-methoxyphenyl)sulfonylbutan-2-one
SMILESCOc1ccccc1S(=O)(=O)C(C)C(C)=O
InChIInChI=1S/C11H14O4S/c1-8(12)9(2)16(13,14)11-7-5-4-6-10(11)15-3/h4-7,9H,1-3H3
InChIKeyFVRRPTDUVJCLPP-UHFFFAOYSA-N
XLogP1.45
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 61297993
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2-(2-methoxyphenyl)sulfonylbutan-1-amine
CID 64698684
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N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide
CID 79027643
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)sulfonylbutan-2-one?
The IUPAC name of 3-(2-methoxyphenyl)sulfonylbutan-2-one (CID 64637155) is 3-(2-methoxyphenyl)sulfonylbutan-2-one.
What is the SMILES notation for 3-(2-methoxyphenyl)sulfonylbutan-2-one?
The canonical SMILES for 3-(2-methoxyphenyl)sulfonylbutan-2-one is COc1ccccc1S(=O)(=O)C(C)C(C)=O.
What is the InChIKey of 3-(2-methoxyphenyl)sulfonylbutan-2-one?
The InChIKey is FVRRPTDUVJCLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c1-8(12)9(2)16(13,14)11-7-5-4-6-10(11)15-3/h4-7,9H,1-3H3.
What are the key properties of 3-(2-methoxyphenyl)sulfonylbutan-2-one?
3-(2-methoxyphenyl)sulfonylbutan-2-one has a molecular weight of 242.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)sulfonylbutan-2-one is sourced from PubChem (CID 64637155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).