N-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide

C13H21NO4S — CID 79934251

IUPACN-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
SMILESCCc1ccc(O)c(NS(=O)(=O)CCOC(C)C)c1
InChIInChI=1S/C13H21NO4S/c1-4-11-5-6-13(15)12(9-11)14-19(16,17)8-7-18-10(2)3/h5-6,9-10,14-15H,4,7-8H2,1-3H3
InChIKeyKFPQJCWXLGWZCN-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.12
Rot. Bonds7

About N-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide

N-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 79934251) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID79934251
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC NameN-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
SMILESCCc1ccc(O)c(NS(=O)(=O)CCOC(C)C)c1
InChIInChI=1S/C13H21NO4S/c1-4-11-5-6-13(15)12(9-11)14-19(16,17)8-7-18-10(2)3/h5-6,9-10,14-15H,4,7-8H2,1-3H3
InChIKeyKFPQJCWXLGWZCN-UHFFFAOYSA-N
XLogP2.12
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide 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-(3-hydroxy-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594475
N-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
CID 81495801
N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
CID 107697822
5-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79594362
N-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594821
methyl N-[(5-ethyl-2-hydroxyphenyl)sulfamoyl]carbamate
CID 114464024
N-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide
CID 79594398
N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594056
2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
CID 79593105
N-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 79593923
N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide
CID 103729090
N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide
CID 113247071

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide (CID 79934251) is N-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide is CCc1ccc(O)c(NS(=O)(=O)CCOC(C)C)c1.
What is the InChIKey of N-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is KFPQJCWXLGWZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-4-11-5-6-13(15)12(9-11)14-19(16,17)8-7-18-10(2)3/h5-6,9-10,14-15H,4,7-8H2,1-3H3.
What are the key properties of N-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide?
N-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79934251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).