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

C20H25FN2O2S — CID 112506666

IUPACN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCC(c2ccc(F)cc2)N2CCCC2)cc1
InChIInChI=1S/C20H25FN2O2S/c1-16-4-6-17(7-5-16)15-26(24,25)22-14-20(23-12-2-3-13-23)18-8-10-19(21)11-9-18/h4-11,20,22H,2-3,12-15H2,1H3
InChIKeyPVEBUSMKLBIKTD-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.39
Rot. Bonds7

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

N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 112506666) 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]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID112506666
Molecular FormulaC20H25FN2O2S
Molecular Weight376.50 g/mol
Exact Mass376.16
IUPAC NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCC(c2ccc(F)cc2)N2CCCC2)cc1
InChIInChI=1S/C20H25FN2O2S/c1-16-4-6-17(7-5-16)15-26(24,25)22-14-20(23-12-2-3-13-23)18-8-10-19(21)11-9-18/h4-11,20,22H,2-3,12-15H2,1H3
InChIKeyPVEBUSMKLBIKTD-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide
CID 40828955
N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 29237994
2-(4-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine
CID 110623873
1-(4-fluorophenyl)-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide
CID 29342184
1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 75748881
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide
CID 112506670
N-[(2S)-2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 29342845
N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 30631191
1-(2,5-difluorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 71796417
2,3,4-trifluoro-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 71881748
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-4-fluorobenzenesulfonamide
CID 7498058
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)methanesulfonamide (CID 112506666) is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)NCC(c2ccc(F)cc2)N2CCCC2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is PVEBUSMKLBIKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2S/c1-16-4-6-17(7-5-16)15-26(24,25)22-14-20(23-12-2-3-13-23)18-8-10-19(21)11-9-18/h4-11,20,22H,2-3,12-15H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)methanesulfonamide?
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 376.50 g/mol, XLogP of 3.39, 7 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]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 112506666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).