4-hydroxy-N-(3-methylsulfonylphenyl)butanamide

C11H15NO4S — CID 79193203

IUPAC4-hydroxy-N-(3-methylsulfonylphenyl)butanamide
SMILESCS(=O)(=O)c1cccc(NC(=O)CCCO)c1
InChIInChI=1S/C11H15NO4S/c1-17(15,16)10-5-2-4-9(8-10)12-11(14)6-3-7-13/h2,4-5,8,13H,3,6-7H2,1H3,(H,12,14)
InChIKeyWZSNVQGPPIBZAV-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.80
Rot. Bonds5

About 4-hydroxy-N-(3-methylsulfonylphenyl)butanamide

4-hydroxy-N-(3-methylsulfonylphenyl)butanamide (PubChem CID 79193203) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-hydroxy-N-(3-methylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-methylsulfonylphenyl)butanamide
PubChem CID79193203
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name4-hydroxy-N-(3-methylsulfonylphenyl)butanamide
SMILESCS(=O)(=O)c1cccc(NC(=O)CCCO)c1
InChIInChI=1S/C11H15NO4S/c1-17(15,16)10-5-2-4-9(8-10)12-11(14)6-3-7-13/h2,4-5,8,13H,3,6-7H2,1H3,(H,12,14)
InChIKeyWZSNVQGPPIBZAV-UHFFFAOYSA-N
XLogP0.80
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide
CID 54862201
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide
CID 27334790
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide
CID 9072319
2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
CID 60673121
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
4-(4-bromophenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide
CID 27334715
4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide
CID 26722725
4-hydroxy-N-(3-iodophenyl)butanamide
CID 79204561
2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide
CID 134013213

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-methylsulfonylphenyl)butanamide?
The IUPAC name of 4-hydroxy-N-(3-methylsulfonylphenyl)butanamide (CID 79193203) is 4-hydroxy-N-(3-methylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(3-methylsulfonylphenyl)butanamide?
The canonical SMILES for 4-hydroxy-N-(3-methylsulfonylphenyl)butanamide is CS(=O)(=O)c1cccc(NC(=O)CCCO)c1.
What is the InChIKey of 4-hydroxy-N-(3-methylsulfonylphenyl)butanamide?
The InChIKey is WZSNVQGPPIBZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-17(15,16)10-5-2-4-9(8-10)12-11(14)6-3-7-13/h2,4-5,8,13H,3,6-7H2,1H3,(H,12,14).
What are the key properties of 4-hydroxy-N-(3-methylsulfonylphenyl)butanamide?
4-hydroxy-N-(3-methylsulfonylphenyl)butanamide has a molecular weight of 257.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-methylsulfonylphenyl)butanamide is sourced from PubChem (CID 79193203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).