1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]ethanone

C13H17NO4S — CID 43429157

IUPAC1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCOCC2C)c1
InChIInChI=1S/C13H17NO4S/c1-10-9-18-7-6-14(10)19(16,17)13-5-3-4-12(8-13)11(2)15/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeyADYOEZTWFSYMGK-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.30
Rot. Bonds3

About 1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]ethanone

1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]ethanone (PubChem CID 43429157) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]ethanone
PubChem CID43429157
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCOCC2C)c1
InChIInChI=1S/C13H17NO4S/c1-10-9-18-7-6-14(10)19(16,17)13-5-3-4-12(8-13)11(2)15/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeyADYOEZTWFSYMGK-UHFFFAOYSA-N
XLogP1.30
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]ethanone?
The IUPAC name of 1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]ethanone (CID 43429157) is 1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]ethanone?
The canonical SMILES for 1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]ethanone is CC(=O)c1cccc(S(=O)(=O)N2CCOCC2C)c1.
What is the InChIKey of 1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]ethanone?
The InChIKey is ADYOEZTWFSYMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-10-9-18-7-6-14(10)19(16,17)13-5-3-4-12(8-13)11(2)15/h3-5,8,10H,6-7,9H2,1-2H3.
What are the key properties of 1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]ethanone?
1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]ethanone has a molecular weight of 283.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]ethanone is sourced from PubChem (CID 43429157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).