N-[(2R,3R)-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]methanesulfonamide

C17H20FN3O2S — CID 137461339

IUPACN-[(2R,3R)-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCN[C@@H]1Cc1cccc(-c2cccc(F)c2)n1
InChIInChI=1S/C17H20FN3O2S/c1-24(22,23)21-16-8-9-19-17(16)11-14-6-3-7-15(20-14)12-4-2-5-13(18)10-12/h2-7,10,16-17,19,21H,8-9,11H2,1H3/t16-,17-/m1/s1
InChIKeyHONCRLFKPIRHDV-IAGOWNOFSA-N
MW349.43 g/mol
LogP1.71
Rot. Bonds5

About N-[(2R,3R)-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]methanesulfonamide

N-[(2R,3R)-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 137461339) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(2R,3R)-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R,3R)-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID137461339
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC NameN-[(2R,3R)-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCN[C@@H]1Cc1cccc(-c2cccc(F)c2)n1
InChIInChI=1S/C17H20FN3O2S/c1-24(22,23)21-16-8-9-19-17(16)11-14-6-3-7-15(20-14)12-4-2-5-13(18)10-12/h2-7,10,16-17,19,21H,8-9,11H2,1H3/t16-,17-/m1/s1
InChIKeyHONCRLFKPIRHDV-IAGOWNOFSA-N
XLogP1.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,3S)-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137461767
N-[(2S,3S)-2-[[3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-3-yl]ethanesulfonamide
CID 137461254
N-[2-[(3-phenylphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 137461974
N-[2-[(3-bromo-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137461238
N-[4-[[6-(3,5-difluorophenyl)-2-pyridinyl]methyl]-7-methyl-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
CID 167343075
N-[(3S,4S)-4-[[6-(3,5-difluorophenyl)-2-pyridinyl]methyl]-7-methyl-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
CID 162346017
6-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]-3-methyl-7-(methylsulfonylmethylamino)-6,7,8,9-tetrahydroquinolizin-4-one
CID 160611786
(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 137461285
(2S)-2-[[2-fluoro-3-(3-fluoro-5-methylphenyl)phenyl]methyl]-N-(trifluoromethylsulfonimidoyl)pyrrolidin-3-amine
CID 177365845
1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 137471009
1-[3-amino-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 137471006
N-[(2S,3R)-1-(bicyclo[1.1.1]pentane-1-carbonyl)-2-[[6-(3,5-difluorophenyl)-2-pyridinyl]methyl]-4,4-difluoropyrrolidin-3-yl]methanesulfonamide
CID 154617056

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(2R,3R)-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]methanesulfonamide (CID 137461339) is N-[(2R,3R)-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2R,3R)-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2R,3R)-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CCN[C@@H]1Cc1cccc(-c2cccc(F)c2)n1.
What is the InChIKey of N-[(2R,3R)-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is HONCRLFKPIRHDV-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-24(22,23)21-16-8-9-19-17(16)11-14-6-3-7-15(20-14)12-4-2-5-13(18)10-12/h2-7,10,16-17,19,21H,8-9,11H2,1H3/t16-,17-/m1/s1.
What are the key properties of N-[(2R,3R)-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]methanesulfonamide?
N-[(2R,3R)-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 349.43 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-2-[[6-(3-fluorophenyl)-2-pyridinyl]methyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 137461339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).