N,N-diethyl-4-[1-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide

C20H28N2O3S — CID 42937239

IUPACN,N-diethyl-4-[1-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NCC(O)c2ccccc2)cc1
InChIInChI=1S/C20H28N2O3S/c1-4-22(5-2)26(24,25)19-13-11-17(12-14-19)16(3)21-15-20(23)18-9-7-6-8-10-18/h6-14,16,20-21,23H,4-5,15H2,1-3H3
InChIKeyKYWLTNMSGLTUKZ-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.10
Rot. Bonds9

About N,N-diethyl-4-[1-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide

N,N-diethyl-4-[1-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide (PubChem CID 42937239) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N,N-diethyl-4-[1-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[1-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide
PubChem CID42937239
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN,N-diethyl-4-[1-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NCC(O)c2ccccc2)cc1
InChIInChI=1S/C20H28N2O3S/c1-4-22(5-2)26(24,25)19-13-11-17(12-14-19)16(3)21-15-20(23)18-9-7-6-8-10-18/h6-14,16,20-21,23H,4-5,15H2,1-3H3
InChIKeyKYWLTNMSGLTUKZ-UHFFFAOYSA-N
XLogP3.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-4-[1-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide 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

1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol
CID 110896898
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 8650517
N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide
CID 111750198
4-[(1R)-2-bromo-1-hydroxyethyl]-N,N-diethylbenzenesulfonamide
CID 25324249
4-(2-bromo-1-hydroxyethyl)-N,N-diethylbenzenesulfonamide
CID 53406864
1-phenyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 43388825
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide
CID 8643844
[4-[(1R)-1-hydroxy-2-(1-phenylethylamino)ethyl]phenyl] benzenesulfonate
CID 87367120
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[1-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[1-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide (CID 42937239) is N,N-diethyl-4-[1-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[1-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[1-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NCC(O)c2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-[1-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide?
The InChIKey is KYWLTNMSGLTUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-4-22(5-2)26(24,25)19-13-11-17(12-14-19)16(3)21-15-20(23)18-9-7-6-8-10-18/h6-14,16,20-21,23H,4-5,15H2,1-3H3.
What are the key properties of N,N-diethyl-4-[1-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide?
N,N-diethyl-4-[1-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide has a molecular weight of 376.52 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[1-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 42937239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).