N-[2-[[3-fluoro-5-(3-fluorophenyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolidin-3-yl]methanesulfonamide

C22H28F2N2O2S — CID 154968087

IUPACN-[2-[[3-fluoro-5-(3-fluorophenyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)CN1CCC(NS(C)(=O)=O)C1Cc1cc(F)cc(-c2cccc(F)c2)c1
InChIInChI=1S/C22H28F2N2O2S/c1-15(2)14-26-8-7-21(25-29(3,27)28)22(26)11-16-9-18(13-20(24)10-16)17-5-4-6-19(23)12-17/h4-6,9-10,12-13,15,21-22,25H,7-8,11,14H2,1-3H3
InChIKeyDZFBDJVETBUMRY-UHFFFAOYSA-N
MW422.54 g/mol
LogP3.82
Rot. Bonds7

About N-[2-[[3-fluoro-5-(3-fluorophenyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolidin-3-yl]methanesulfonamide

N-[2-[[3-fluoro-5-(3-fluorophenyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 154968087) has the molecular formula C22H28F2N2O2S and a molecular weight of 422.54 g/mol. Its IUPAC name is N-[2-[[3-fluoro-5-(3-fluorophenyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[3-fluoro-5-(3-fluorophenyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID154968087
Molecular FormulaC22H28F2N2O2S
Molecular Weight422.54 g/mol
Exact Mass422.18
IUPAC NameN-[2-[[3-fluoro-5-(3-fluorophenyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)CN1CCC(NS(C)(=O)=O)C1Cc1cc(F)cc(-c2cccc(F)c2)c1
InChIInChI=1S/C22H28F2N2O2S/c1-15(2)14-26-8-7-21(25-29(3,27)28)22(26)11-16-9-18(13-20(24)10-16)17-5-4-6-19(23)12-17/h4-6,9-10,12-13,15,21-22,25H,7-8,11,14H2,1-3H3
InChIKeyDZFBDJVETBUMRY-UHFFFAOYSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3S)-2-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 137461267
N-[(2R,3R)-2-[[3-(3,5-difluorophenyl)phenyl]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide
CID 137461386
N-[(2S,3S)-2-[[3-(3-fluorophenyl)phenyl]methyl]-1-(1-methylcyclobutanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 137461662
N-[(2S,3S)-1-(cyclobutanecarbonyl)-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137462085
N-[(2S)-1-(3,3-difluoroazetidine-1-carbonyl)-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137469778
N-[(2S,3S)-2-[[3-(3-fluorophenyl)phenyl]methyl]-1-pent-4-enoylpyrrolidin-3-yl]methanesulfonamide
CID 146297644
(2S,3S)-N-ethyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 137461333
N-[(2S,3S)-2-[[3-(3,5-difluorophenyl)phenyl]methyl]-1-pent-4-enoylpyrrolidin-3-yl]methanesulfonamide
CID 146297629
N-[(2S,3S)-1-(cyclobutylmethyl)-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-3-yl]-1-methoxymethanesulfonamide
CID 154967978
N-[(2S,3S)-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137461767
N-[(2S,3S)-2-[(3-phenylphenyl)methyl]-1-propanoylpyrrolidin-3-yl]methanesulfonamide
CID 137461172
N-[1-(2-methylbutanoyl)-2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137461609

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-fluoro-5-(3-fluorophenyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[2-[[3-fluoro-5-(3-fluorophenyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolidin-3-yl]methanesulfonamide (CID 154968087) is N-[2-[[3-fluoro-5-(3-fluorophenyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[[3-fluoro-5-(3-fluorophenyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[2-[[3-fluoro-5-(3-fluorophenyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolidin-3-yl]methanesulfonamide is CC(C)CN1CCC(NS(C)(=O)=O)C1Cc1cc(F)cc(-c2cccc(F)c2)c1.
What is the InChIKey of N-[2-[[3-fluoro-5-(3-fluorophenyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is DZFBDJVETBUMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N2O2S/c1-15(2)14-26-8-7-21(25-29(3,27)28)22(26)11-16-9-18(13-20(24)10-16)17-5-4-6-19(23)12-17/h4-6,9-10,12-13,15,21-22,25H,7-8,11,14H2,1-3H3.
What are the key properties of N-[2-[[3-fluoro-5-(3-fluorophenyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolidin-3-yl]methanesulfonamide?
N-[2-[[3-fluoro-5-(3-fluorophenyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 422.54 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-fluoro-5-(3-fluorophenyl)phenyl]methyl]-1-(2-methylpropyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 154968087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).