3-(4-methylphenyl)sulfonylbutanamide

C11H15NO3S — CID 57140221

IUPAC3-(4-methylphenyl)sulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)C(C)CC(N)=O)cc1
InChIInChI=1S/C11H15NO3S/c1-8-3-5-10(6-4-8)16(14,15)9(2)7-11(12)13/h3-6,9H,7H2,1-2H3,(H2,12,13)
InChIKeyWCHVCOZSSLTTHV-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.03
Rot. Bonds4

About 3-(4-methylphenyl)sulfonylbutanamide

3-(4-methylphenyl)sulfonylbutanamide (PubChem CID 57140221) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonylbutanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonylbutanamide
PubChem CID57140221
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name3-(4-methylphenyl)sulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)C(C)CC(N)=O)cc1
InChIInChI=1S/C11H15NO3S/c1-8-3-5-10(6-4-8)16(14,15)9(2)7-11(12)13/h3-6,9H,7H2,1-2H3,(H2,12,13)
InChIKeyWCHVCOZSSLTTHV-UHFFFAOYSA-N
XLogP1.03
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-((4-Methylphenyl)sulfonyl)acetamide
CID 104164
(p-Tolylsulphonyl)acetone
CID 79327
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-(p-tolylthio)-
CID 51918
N,N-dimethyl-2-[(4-methylphenyl)sulfonyl]acetamide
CID 975418
2-[(4-Sulfamoylphenyl)methylsulfanyl]acetamide
CID 44343753
N-Hydroxy-3-(4-trifluoromethyl-benzenesulfonyl)-propionamide
CID 44404480
N-hydroxy-2-(4-phenylphenyl)sulfonylacetamide
CID 168276813
N-((4-Methylphenyl)sulfonyl)acetamide
CID 286222
Benzeneacetamide, 4-((1-methylethyl)thio)-
CID 827349
Benzamide, p-(isopropylsulfonyl)-
CID 210035

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonylbutanamide?
The IUPAC name of 3-(4-methylphenyl)sulfonylbutanamide (CID 57140221) is 3-(4-methylphenyl)sulfonylbutanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfonylbutanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfonylbutanamide is Cc1ccc(S(=O)(=O)C(C)CC(N)=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonylbutanamide?
The InChIKey is WCHVCOZSSLTTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-8-3-5-10(6-4-8)16(14,15)9(2)7-11(12)13/h3-6,9H,7H2,1-2H3,(H2,12,13).
What are the key properties of 3-(4-methylphenyl)sulfonylbutanamide?
3-(4-methylphenyl)sulfonylbutanamide has a molecular weight of 241.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonylbutanamide is sourced from PubChem (CID 57140221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).