N-(2-fluoro-5-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide

C13H17FN2O3S — CID 47012589

IUPACN-(2-fluoro-5-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(F)c(NC(=O)C2CCCN2S(C)(=O)=O)c1
InChIInChI=1S/C13H17FN2O3S/c1-9-5-6-10(14)11(8-9)15-13(17)12-4-3-7-16(12)20(2,18)19/h5-6,8,12H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyQFRASIVOIBWVSZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.50
Rot. Bonds3

About N-(2-fluoro-5-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide

N-(2-fluoro-5-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 47012589) has the molecular formula C13H17FN2O3S and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID47012589
Molecular FormulaC13H17FN2O3S
Molecular Weight300.36 g/mol
Exact Mass300.09
IUPAC NameN-(2-fluoro-5-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(F)c(NC(=O)C2CCCN2S(C)(=O)=O)c1
InChIInChI=1S/C13H17FN2O3S/c1-9-5-6-10(14)11(8-9)15-13(17)12-4-3-7-16(12)20(2,18)19/h5-6,8,12H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyQFRASIVOIBWVSZ-UHFFFAOYSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2S)-1-(3-methylanilino)-1-oxo-7-sulfanylheptan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 118721860
Me-D-Pyr-Nle(MeSH)-NHPh(3-Me)
CID 118721862
N-(2,5-Dimethyl-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 846479
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 846944
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
CID 848403
N~2~-cyclohexyl-N~1~-(2-fluorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 964121
N-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-N-m-tolyl-methanesulfonamide
CID 1076842
N-(3,5-Dimethyl-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 1076850
2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 1315348
(2S)-N-(2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1548195
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
(2S)-N-(4-fluoro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2474404

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide (CID 47012589) is N-(2-fluoro-5-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide is Cc1ccc(F)c(NC(=O)C2CCCN2S(C)(=O)=O)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is QFRASIVOIBWVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-9-5-6-10(14)11(8-9)15-13(17)12-4-3-7-16(12)20(2,18)19/h5-6,8,12H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of N-(2-fluoro-5-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
N-(2-fluoro-5-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 47012589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).