1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C11H13FN2O3S — CID 2947537

IUPAC1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2O3S/c12-8-3-5-9(6-4-8)18(16,17)14-7-1-2-10(14)11(13)15/h3-6,10H,1-2,7H2,(H2,13,15)
InChIKeyBPYSDGKSIAXINK-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.46
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 2947537) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID2947537
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2O3S/c12-8-3-5-9(6-4-8)18(16,17)14-7-1-2-10(14)11(13)15/h3-6,10H,1-2,7H2,(H2,13,15)
InChIKeyBPYSDGKSIAXINK-UHFFFAOYSA-N
XLogP0.46
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 90935377
(2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboximidamide
CID 96560387
(2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2392292
(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;piperazine-1-carboxamide
CID 22876272
methyl (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate;hydrofluoride
CID 144826687
(3R)-4-(4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 71193250
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 3790655
1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 60583832
(2S)-1-[4-(1-adamantyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 7232966
4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide
CID 42938535
(1-aminoethylideneamino) (2S)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylate
CID 86759129
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 2947537) is 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is NC(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is BPYSDGKSIAXINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c12-8-3-5-9(6-4-8)18(16,17)14-7-1-2-10(14)11(13)15/h3-6,10H,1-2,7H2,(H2,13,15).
What are the key properties of 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2947537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).