3-(4-methylphenyl)sulfonylpropanamide

C10H13NO3S — CID 676777

IUPAC3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(N)=O)cc1
InChIInChI=1S/C10H13NO3S/c1-8-2-4-9(5-3-8)15(13,14)7-6-10(11)12/h2-5H,6-7H2,1H3,(H2,11,12)
InChIKeyPWDJLSXWEJBOAY-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.64
Rot. Bonds4

About 3-(4-methylphenyl)sulfonylpropanamide

3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 676777) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonylpropanamide
PubChem CID676777
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(N)=O)cc1
InChIInChI=1S/C10H13NO3S/c1-8-2-4-9(5-3-8)15(13,14)7-6-10(11)12/h2-5H,6-7H2,1H3,(H2,11,12)
InChIKeyPWDJLSXWEJBOAY-UHFFFAOYSA-N
XLogP0.64
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of 3-(4-methylphenyl)sulfonylpropanamide (CID 676777) is 3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(N)=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is PWDJLSXWEJBOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-8-2-4-9(5-3-8)15(13,14)7-6-10(11)12/h2-5H,6-7H2,1H3,(H2,11,12).
What are the key properties of 3-(4-methylphenyl)sulfonylpropanamide?
3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 227.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 676777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).