3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide

C18H24N2O3S — CID 111521852

IUPAC3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCC(NCc1ccccc1CO)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H24N2O3S/c1-14(19-12-16-7-4-5-8-17(16)13-21)15-9-6-10-18(11-15)24(22,23)20(2)3/h4-11,14,19,21H,12-13H2,1-3H3
InChIKeyJKROYBDWEFBLMJ-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.28
Rot. Bonds7

About 3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide

3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 111521852) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
PubChem CID111521852
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCC(NCc1ccccc1CO)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H24N2O3S/c1-14(19-12-16-7-4-5-8-17(16)13-21)15-9-6-10-18(11-15)24(22,23)20(2)3/h4-11,14,19,21H,12-13H2,1-3H3
InChIKeyJKROYBDWEFBLMJ-UHFFFAOYSA-N
XLogP2.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide 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-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide
CID 95178243
4-[(1R)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 124515073
3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide
CID 56824144
3-[(1S)-1-[(2,3-dimethylphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide
CID 95178250
3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43715556
3-[[1-(3-bromo-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylbenzenesulfonamide
CID 112802015
N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43507085
N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43507037
N,N-dimethylazulene-5-sulfonamide
CID 67469153
N,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide
CID 43226387
3-[1-(ethylamino)ethyl]-N-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 43507113
2-[(1-phenylethylamino)methyl]phenol
CID 3669487

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide (CID 111521852) is 3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide is CC(NCc1ccccc1CO)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is JKROYBDWEFBLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-14(19-12-16-7-4-5-8-17(16)13-21)15-9-6-10-18(11-15)24(22,23)20(2)3/h4-11,14,19,21H,12-13H2,1-3H3.
What are the key properties of 3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide?
3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 111521852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).