N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide

C21H26N2O3S — CID 17421191

IUPACN,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCN2CC=C(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-22(2)27(24,25)21-10-8-20(9-11-21)26-17-16-23-14-12-19(13-15-23)18-6-4-3-5-7-18/h3-12H,13-17H2,1-2H3
InChIKeyVZDYXFZJYYAKGB-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.11
Rot. Bonds7

About N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide

N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide (PubChem CID 17421191) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide
PubChem CID17421191
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCN2CC=C(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-22(2)27(24,25)21-10-8-20(9-11-21)26-17-16-23-14-12-19(13-15-23)18-6-4-3-5-7-18/h3-12H,13-17H2,1-2H3
InChIKeyVZDYXFZJYYAKGB-UHFFFAOYSA-N
XLogP3.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 95142828
1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine
CID 18794477
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 35327621
4-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 55565091
1-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906798
N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
CID 34689424
N,N-dimethyl-4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)ethoxy]benzenesulfonamide
CID 48730206
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
3-[4-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]propanoic acid
CID 139618961
N,N,3,5-tetramethyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazole-4-sulfonamide
CID 9235992
N-cyclohexyl-4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-N-methylpiperazine-1-sulfonamide
CID 55626277
4-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 24629101

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide (CID 17421191) is N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(OCCN2CC=C(c3ccccc3)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide?
The InChIKey is VZDYXFZJYYAKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-22(2)27(24,25)21-10-8-20(9-11-21)26-17-16-23-14-12-19(13-15-23)18-6-4-3-5-7-18/h3-12H,13-17H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide?
N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide is sourced from PubChem (CID 17421191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).