N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C19H21FN2O3S — CID 647845

IUPACN-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)c1C
InChIInChI=1S/C19H21FN2O3S/c1-13-5-3-6-17(14(13)2)21-19(23)18-7-4-12-22(18)26(24,25)16-10-8-15(20)9-11-16/h3,5-6,8-11,18H,4,7,12H2,1-2H3,(H,21,23)
InChIKeyZLXFDPUCTLISAM-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.23
Rot. Bonds4

About N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 647845) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID647845
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)c1C
InChIInChI=1S/C19H21FN2O3S/c1-13-5-3-6-17(14(13)2)21-19(23)18-7-4-12-22(18)26(24,25)16-10-8-15(20)9-11-16/h3,5-6,8-11,18H,4,7,12H2,1-2H3,(H,21,23)
InChIKeyZLXFDPUCTLISAM-UHFFFAOYSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 647845) is N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is Cc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is ZLXFDPUCTLISAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-13-5-3-6-17(14(13)2)21-19(23)18-7-4-12-22(18)26(24,25)16-10-8-15(20)9-11-16/h3,5-6,8-11,18H,4,7,12H2,1-2H3,(H,21,23).
What are the key properties of N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 647845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).