N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide

C20H25FN2O2S — CID 112506670

IUPACN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C20H25FN2O2S/c21-19-10-8-18(9-11-19)20(23-13-4-5-14-23)16-22-26(24,25)15-12-17-6-2-1-3-7-17/h1-3,6-11,20,22H,4-5,12-16H2
InChIKeyWUAZIALLLUHLID-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.12
Rot. Bonds8

About N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide

N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide (PubChem CID 112506670) has the molecular formula C20H25FN2O2S and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide
PubChem CID112506670
Molecular FormulaC20H25FN2O2S
Molecular Weight376.50 g/mol
Exact Mass376.16
IUPAC NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C20H25FN2O2S/c21-19-10-8-18(9-11-19)20(23-13-4-5-14-23)16-22-26(24,25)15-12-17-6-2-1-3-7-17/h1-3,6-11,20,22H,4-5,12-16H2
InChIKeyWUAZIALLLUHLID-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide
CID 112506478
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506628
2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide
CID 107651678
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide
CID 112503410
N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-phenylethanesulfonamide
CID 43957121
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 112506666
2-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide
CID 110356277
2-(4-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine
CID 110623873
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-phenylethanesulfonamide;hydrochloride
CID 52985988
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-4-fluorobenzenesulfonamide
CID 7498058
N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16812936
1-(4-fluorophenyl)-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide
CID 29342184

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide (CID 112506670) is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NCC(c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide?
The InChIKey is WUAZIALLLUHLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2S/c21-19-10-8-18(9-11-19)20(23-13-4-5-14-23)16-22-26(24,25)15-12-17-6-2-1-3-7-17/h1-3,6-11,20,22H,4-5,12-16H2.
What are the key properties of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide?
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide has a molecular weight of 376.50 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 112506670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).