3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)pyrrolidine-1-carboxamide

C14H19FN2O3S — CID 71972632

IUPAC3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)CCNC(=O)N1CCC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H19FN2O3S/c1-21(19,20)9-7-16-14(18)17-8-6-12(10-17)11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3,(H,16,18)
InChIKeyMMMYOOYRHGSOGI-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.37
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)pyrrolidine-1-carboxamide

3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)pyrrolidine-1-carboxamide (PubChem CID 71972632) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)pyrrolidine-1-carboxamide
PubChem CID71972632
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)CCNC(=O)N1CCC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H19FN2O3S/c1-21(19,20)9-7-16-14(18)17-8-6-12(10-17)11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3,(H,16,18)
InChIKeyMMMYOOYRHGSOGI-UHFFFAOYSA-N
XLogP1.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)pyrrolidine-1-carboxamide (CID 71972632) is 3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)pyrrolidine-1-carboxamide is CS(=O)(=O)CCNC(=O)N1CCC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)pyrrolidine-1-carboxamide?
The InChIKey is MMMYOOYRHGSOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-21(19,20)9-7-16-14(18)17-8-6-12(10-17)11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3,(H,16,18).
What are the key properties of 3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)pyrrolidine-1-carboxamide?
3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)pyrrolidine-1-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-methylsulfonylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71972632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).