N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide

C14H23NO3S — CID 63857517

IUPACN-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(C)C(C)c1ccccc1O
InChIInChI=1S/C14H23NO3S/c1-11(2)9-10-19(17,18)15(4)12(3)13-7-5-6-8-14(13)16/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyWCDLBEBTHMIWNI-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.76
Rot. Bonds6

About N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide

N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide (PubChem CID 63857517) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide
PubChem CID63857517
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(C)C(C)c1ccccc1O
InChIInChI=1S/C14H23NO3S/c1-11(2)9-10-19(17,18)15(4)12(3)13-7-5-6-8-14(13)16/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyWCDLBEBTHMIWNI-UHFFFAOYSA-N
XLogP2.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide 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-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-methylsulfonylethanesulfonamide
CID 63242780
1-cyclohexyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylmethanesulfonamide
CID 61453739
2-[1-(2-hydroxyphenyl)ethyl-methylsulfamoyl]propanoic acid
CID 61457886
N-[1-(3-aminophenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide
CID 63857119
2-[(1R)-1-[methyl(propan-2-yl)amino]ethyl]phenol
CID 101104323
3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide
CID 61457823
N-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-1-sulfonamide
CID 61043938
N-[1-(2-hydroxyphenyl)ethyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 62061772
N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide
CID 94605874
N-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide
CID 55014354
2-(6-methylheptan-2-yl)phenol
CID 163037790
1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide
CID 63665534

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide (CID 63857517) is N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)N(C)C(C)c1ccccc1O.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide?
The InChIKey is WCDLBEBTHMIWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-11(2)9-10-19(17,18)15(4)12(3)13-7-5-6-8-14(13)16/h5-8,11-12,16H,9-10H2,1-4H3.
What are the key properties of N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide?
N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 63857517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).