1-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide

C19H21FN2O3S — CID 3219590

IUPAC1-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O3S/c1-14-4-6-15(7-5-14)13-21-19(23)18-3-2-12-22(18)26(24,25)17-10-8-16(20)9-11-17/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)
InChIKeyASYUPMRGDBGEFR-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.60
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 3219590) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID3219590
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O3S/c1-14-4-6-15(7-5-14)13-21-19(23)18-3-2-12-22(18)26(24,25)17-10-8-16(20)9-11-17/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)
InChIKeyASYUPMRGDBGEFR-UHFFFAOYSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide (CID 3219590) is 1-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide is Cc1ccc(CNC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is ASYUPMRGDBGEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-14-4-6-15(7-5-14)13-21-19(23)18-3-2-12-22(18)26(24,25)17-10-8-16(20)9-11-17/h4-11,18H,2-3,12-13H2,1H3,(H,21,23).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 3219590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).