N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide

C15H25NO3S — CID 103697673

IUPACN-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide
SMILESCC(C)(C)CC(O)CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H25NO3S/c1-15(2,3)11-14(17)12-16-20(18,19)10-9-13-7-5-4-6-8-13/h4-8,14,16-17H,9-12H2,1-3H3
InChIKeyIZPSDMJCEHGRBV-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.95
Rot. Bonds7

About N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide

N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide (PubChem CID 103697673) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide
PubChem CID103697673
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide
SMILESCC(C)(C)CC(O)CNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H25NO3S/c1-15(2,3)11-14(17)12-16-20(18,19)10-9-13-7-5-4-6-8-13/h4-8,14,16-17H,9-12H2,1-3H3
InChIKeyIZPSDMJCEHGRBV-UHFFFAOYSA-N
XLogP1.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-4,4-dimethylpentyl)-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

N-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide
CID 107158980
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide
CID 56794319
2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid
CID 66167720
N-(2-hydroxy-4,4-dimethylpentyl)-3,3-dimethylbutane-1-sulfonamide
CID 113240024
4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729747
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-phenylethanesulfonamide
CID 109379684
N-(2-aminobutyl)-2-phenylethanesulfonamide
CID 63731385
4-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]butanoic acid
CID 107151263
N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113249315
N-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide
CID 82723208
1-cyano-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide
CID 103850449

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide (CID 103697673) is N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide is CC(C)(C)CC(O)CNS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide?
The InChIKey is IZPSDMJCEHGRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-15(2,3)11-14(17)12-16-20(18,19)10-9-13-7-5-4-6-8-13/h4-8,14,16-17H,9-12H2,1-3H3.
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide?
N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 103697673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).