4-(4-methylsulfonylphenyl)butanamide

C11H15NO3S — CID 66848825

IUPAC4-(4-methylsulfonylphenyl)butanamide
SMILESCS(=O)(=O)c1ccc(CCCC(N)=O)cc1
InChIInChI=1S/C11H15NO3S/c1-16(14,15)10-7-5-9(6-8-10)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(H2,12,13)
InChIKeyUGWYFRZLEXLENW-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.90
Rot. Bonds5

About 4-(4-methylsulfonylphenyl)butanamide

4-(4-methylsulfonylphenyl)butanamide (PubChem CID 66848825) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-methylsulfonylphenyl)butanamide
PubChem CID66848825
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name4-(4-methylsulfonylphenyl)butanamide
SMILESCS(=O)(=O)c1ccc(CCCC(N)=O)cc1
InChIInChI=1S/C11H15NO3S/c1-16(14,15)10-7-5-9(6-8-10)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(H2,12,13)
InChIKeyUGWYFRZLEXLENW-UHFFFAOYSA-N
XLogP0.90
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-sulfamoylphenyl)butanamide
CID 145476026
methyl 4-(4-methylsulfonylphenyl)butanoate
CID 98784574
5-(4-methylsulfonylphenyl)pentanoic acid
CID 98784573
8-(4-sulfamoylphenyl)octanamide
CID 67422603
2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide
CID 115260140
ethane;4-(4-ethylphenyl)butanamide
CID 142203218
18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
CID 66765992
1-(4-bromobutyl)-4-methylsulfonylbenzene
CID 83967555
4-(4-tert-butylphenyl)butanamide
CID 20619639
2-(4-methylsulfonylphenyl)ethanamine chloride
CID 20849935
2-methyl-6-(4-methylsulfonylphenyl)hexan-2-ol
CID 98018337
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylphenyl)butanamide?
The IUPAC name of 4-(4-methylsulfonylphenyl)butanamide (CID 66848825) is 4-(4-methylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-(4-methylsulfonylphenyl)butanamide?
The canonical SMILES for 4-(4-methylsulfonylphenyl)butanamide is CS(=O)(=O)c1ccc(CCCC(N)=O)cc1.
What is the InChIKey of 4-(4-methylsulfonylphenyl)butanamide?
The InChIKey is UGWYFRZLEXLENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-16(14,15)10-7-5-9(6-8-10)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(H2,12,13).
What are the key properties of 4-(4-methylsulfonylphenyl)butanamide?
4-(4-methylsulfonylphenyl)butanamide has a molecular weight of 241.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylphenyl)butanamide is sourced from PubChem (CID 66848825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).