N-(1-hydroxy-4-methylpentan-3-yl)-2-phenylethanesulfonamide

C14H23NO3S — CID 103697877

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-2-phenylethanesulfonamide
SMILESCC(C)C(CCO)NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C14H23NO3S/c1-12(2)14(8-10-16)15-19(17,18)11-9-13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3
InChIKeyZJEFPOZXHVPXKY-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.56
Rot. Bonds8

About N-(1-hydroxy-4-methylpentan-3-yl)-2-phenylethanesulfonamide

N-(1-hydroxy-4-methylpentan-3-yl)-2-phenylethanesulfonamide (PubChem CID 103697877) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-2-phenylethanesulfonamide
PubChem CID103697877
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-2-phenylethanesulfonamide
SMILESCC(C)C(CCO)NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C14H23NO3S/c1-12(2)14(8-10-16)15-19(17,18)11-9-13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3
InChIKeyZJEFPOZXHVPXKY-UHFFFAOYSA-N
XLogP1.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-hydroxy-4-methylpentan-3-yl)-2-phenylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1-hydroxy-4-methylpentan-3-yl)sulfamoylmethyl]benzoic acid
CID 106348589
2-methyl-3-(2-phenylethylsulfonylamino)butanoic acid
CID 113415931
N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide
CID 80688482
(2R,3R)-3-hydroxy-2-(2-phenylethylsulfonylamino)butanoic acid
CID 11748178
(2S,3R)-3-hydroxy-2-(2-phenylethylsulfonylamino)butanoic acid
CID 10891492
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-phenylethanesulfonamide
CID 103912589
N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide
CID 111466258
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
2-(2-phenylethylsulfonylamino)pentanedioic acid
CID 60830006
3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid
CID 43361780
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-phenylethanesulfonamide
CID 109379684
3-phenyl-N-(1-phenylethyl)propane-1-sulfonamide
CID 110755445

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-phenylethanesulfonamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-phenylethanesulfonamide (CID 103697877) is N-(1-hydroxy-4-methylpentan-3-yl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-2-phenylethanesulfonamide is CC(C)C(CCO)NS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-2-phenylethanesulfonamide?
The InChIKey is ZJEFPOZXHVPXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-12(2)14(8-10-16)15-19(17,18)11-9-13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3.
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-2-phenylethanesulfonamide?
N-(1-hydroxy-4-methylpentan-3-yl)-2-phenylethanesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-2-phenylethanesulfonamide is sourced from PubChem (CID 103697877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).