N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide

C13H17FN2O3S — CID 102777994

IUPACN-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C13H17FN2O3S/c1-8-5-6-15-12(8)13(17)16-11-7-9(20(2,18)19)3-4-10(11)14/h3-4,7-8,12,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyZTNCXXUNUYZLES-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.17
Rot. Bonds3

About N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide

N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102777994) has the molecular formula C13H17FN2O3S and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102777994
Molecular FormulaC13H17FN2O3S
Molecular Weight300.36 g/mol
Exact Mass300.09
IUPAC NameN-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C13H17FN2O3S/c1-8-5-6-15-12(8)13(17)16-11-7-9(20(2,18)19)3-4-10(11)14/h3-4,7-8,12,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyZTNCXXUNUYZLES-UHFFFAOYSA-N
XLogP1.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide
CID 31929476
N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43708243
4-fluoro-3-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107067490
3-fluoro-4-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779420
methyl 2,4-difluoro-5-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate
CID 102778214
N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779794
3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
CID 102779633
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102779041
3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 102778116
N-(3,4-dimethylcyclohexyl)-2-fluoro-5-methylsulfonylaniline
CID 64734538
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpyrrolidine-2-carboxamide
CID 102778058
N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121700

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide (CID 102777994) is N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide is CC1CCNC1C(=O)Nc1cc(S(C)(=O)=O)ccc1F.
What is the InChIKey of N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is ZTNCXXUNUYZLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-8-5-6-15-12(8)13(17)16-11-7-9(20(2,18)19)3-4-10(11)14/h3-4,7-8,12,15H,5-6H2,1-2H3,(H,16,17).
What are the key properties of N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide?
N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102777994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).