N,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide

C20H26N2O3S — CID 95142828

IUPACN,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCN2CC[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C20H26N2O3S/c1-21(2)26(23,24)20-10-8-19(9-11-20)25-15-14-22-13-12-18(16-22)17-6-4-3-5-7-17/h3-11,18H,12-16H2,1-2H3/t18-/m0/s1
InChIKeyWEBSOIFGFIUENH-SFHVURJKSA-N
MW374.51 g/mol
LogP2.81
Rot. Bonds7

About N,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide

N,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide (PubChem CID 95142828) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide
PubChem CID95142828
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCN2CC[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C20H26N2O3S/c1-21(2)26(23,24)20-10-8-19(9-11-20)25-15-14-22-13-12-18(16-22)17-6-4-3-5-7-17/h3-11,18H,12-16H2,1-2H3/t18-/m0/s1
InChIKeyWEBSOIFGFIUENH-SFHVURJKSA-N
XLogP2.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]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-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906798
N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide
CID 17421191
4-[2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 55565091
N-cyclohexyl-4-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-N-methylpiperazine-1-sulfonamide
CID 55626277
N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
CID 34689424
N,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 51686303
(3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 95299881
4-[2-[benzyl(cyclopropyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 32517776
4-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 24629101
N,N-dimethyl-4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)ethoxy]benzenesulfonamide
CID 48730206
4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 78962070
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide (CID 95142828) is N,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(OCCN2CC[C@H](c3ccccc3)C2)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide?
The InChIKey is WEBSOIFGFIUENH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-21(2)26(23,24)20-10-8-19(9-11-20)25-15-14-22-13-12-18(16-22)17-6-4-3-5-7-17/h3-11,18H,12-16H2,1-2H3/t18-/m0/s1.
What are the key properties of N,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide?
N,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 2.81, 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-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide is sourced from PubChem (CID 95142828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).