N-(4-methylphenyl)sulfonylpropanamide

C10H13NO3S — CID 3113783

IUPACN-(4-methylphenyl)sulfonylpropanamide
SMILESCCC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H13NO3S/c1-3-10(12)11-15(13,14)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyJAELKABXNAKVIJ-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.21
Rot. Bonds3

About N-(4-methylphenyl)sulfonylpropanamide

N-(4-methylphenyl)sulfonylpropanamide (PubChem CID 3113783) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonylpropanamide
PubChem CID3113783
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC NameN-(4-methylphenyl)sulfonylpropanamide
SMILESCCC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H13NO3S/c1-3-10(12)11-15(13,14)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyJAELKABXNAKVIJ-UHFFFAOYSA-N
XLogP1.21
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(4-methylphenyl)sulfonylpropanamide (CID 3113783) is N-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(4-methylphenyl)sulfonylpropanamide is CCC(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is JAELKABXNAKVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-3-10(12)11-15(13,14)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12).
What are the key properties of N-(4-methylphenyl)sulfonylpropanamide?
N-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 227.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 3113783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).