5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide

C14H22N2O4S — CID 79194887

IUPAC5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)CCCCO)cc1
InChIInChI=1S/C14H22N2O4S/c1-11(2)16-21(19,20)13-8-6-12(7-9-13)15-14(18)5-3-4-10-17/h6-9,11,16-17H,3-5,10H2,1-2H3,(H,15,18)
InChIKeyHFIXUEZTKQJVKL-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.47
Rot. Bonds8

About 5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide

5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide (PubChem CID 79194887) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
PubChem CID79194887
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)CCCCO)cc1
InChIInChI=1S/C14H22N2O4S/c1-11(2)16-21(19,20)13-8-6-12(7-9-13)15-14(18)5-3-4-10-17/h6-9,11,16-17H,3-5,10H2,1-2H3,(H,15,18)
InChIKeyHFIXUEZTKQJVKL-UHFFFAOYSA-N
XLogP1.47
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride
CID 119685718
4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide
CID 106842517
N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
CID 3474503
4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide
CID 79199156
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide
CID 51566560
N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide
CID 60687796
N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
CID 4992549
3-(1,3-dioxoisoindol-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8752768
3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55573139
3-(2-methylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9219325
3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide
CID 26715230

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide?
The IUPAC name of 5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide (CID 79194887) is 5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide.
What is the SMILES notation for 5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide?
The canonical SMILES for 5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)CCCCO)cc1.
What is the InChIKey of 5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide?
The InChIKey is HFIXUEZTKQJVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-11(2)16-21(19,20)13-8-6-12(7-9-13)15-14(18)5-3-4-10-17/h6-9,11,16-17H,3-5,10H2,1-2H3,(H,15,18).
What are the key properties of 5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide?
5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide has a molecular weight of 314.41 g/mol, XLogP of 1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide is sourced from PubChem (CID 79194887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).