3-(4-ethenylphenyl)sulfonylpropanamide

C11H13NO3S — CID 12683176

IUPAC3-(4-ethenylphenyl)sulfonylpropanamide
SMILESC=Cc1ccc(S(=O)(=O)CCC(N)=O)cc1
InChIInChI=1S/C11H13NO3S/c1-2-9-3-5-10(6-4-9)16(14,15)8-7-11(12)13/h2-6H,1,7-8H2,(H2,12,13)
InChIKeyKPALSWJKKFRFEK-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.98
Rot. Bonds5

About 3-(4-ethenylphenyl)sulfonylpropanamide

3-(4-ethenylphenyl)sulfonylpropanamide (PubChem CID 12683176) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-(4-ethenylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name3-(4-ethenylphenyl)sulfonylpropanamide
PubChem CID12683176
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name3-(4-ethenylphenyl)sulfonylpropanamide
SMILESC=Cc1ccc(S(=O)(=O)CCC(N)=O)cc1
InChIInChI=1S/C11H13NO3S/c1-2-9-3-5-10(6-4-9)16(14,15)8-7-11(12)13/h2-6H,1,7-8H2,(H2,12,13)
InChIKeyKPALSWJKKFRFEK-UHFFFAOYSA-N
XLogP0.98
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-((4-Methylphenyl)sulfonyl)acetamide
CID 104164
Tosylacetonitrile
CID 79776
(p-Tolylsulphonyl)acetone
CID 79327
Modafinil Sulfone
CID 6460146
5-Methyl-2-(3-methyl-but-2-enyl)-2-(toluene-4-sulfonyl)-hex-4-enoic acid hydroxyamide
CID 11760296
2-((2-Methylphenyl)thio)-acetamide
CID 36074
Acetamide, 2-(benzylthio)-
CID 95209
Acetamide, 2-(p-tolylthio)-
CID 51918
N,N-dimethyl-2-[(4-methylphenyl)sulfonyl]acetamide
CID 975418
2-[(4-Tert-butylphenyl)sulfanyl]acetamide
CID 975595
2-[(4-Sulfamoylphenyl)methylsulfanyl]acetamide
CID 44343753
N-Hydroxy-3-(4-trifluoromethyl-benzenesulfonyl)-propionamide
CID 44404480

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethenylphenyl)sulfonylpropanamide?
The IUPAC name of 3-(4-ethenylphenyl)sulfonylpropanamide (CID 12683176) is 3-(4-ethenylphenyl)sulfonylpropanamide.
What is the SMILES notation for 3-(4-ethenylphenyl)sulfonylpropanamide?
The canonical SMILES for 3-(4-ethenylphenyl)sulfonylpropanamide is C=Cc1ccc(S(=O)(=O)CCC(N)=O)cc1.
What is the InChIKey of 3-(4-ethenylphenyl)sulfonylpropanamide?
The InChIKey is KPALSWJKKFRFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-2-9-3-5-10(6-4-9)16(14,15)8-7-11(12)13/h2-6H,1,7-8H2,(H2,12,13).
What are the key properties of 3-(4-ethenylphenyl)sulfonylpropanamide?
3-(4-ethenylphenyl)sulfonylpropanamide has a molecular weight of 239.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethenylphenyl)sulfonylpropanamide is sourced from PubChem (CID 12683176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).