(2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboximidamide

C11H14FN3O2S — CID 96560387

IUPAC(2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboximidamide
SMILES[H]/N=C(\N)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FN3O2S/c12-8-3-5-9(6-4-8)18(16,17)15-7-1-2-10(15)11(13)14/h3-6,10H,1-2,7H2,(H3,13,14)/t10-/m1/s1
InChIKeyMLZRRAQFOLZMFE-SNVBAGLBSA-N
MW271.32 g/mol
LogP0.91
Rot. Bonds3

About (2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboximidamide

(2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboximidamide (PubChem CID 96560387) has the molecular formula C11H14FN3O2S and a molecular weight of 271.32 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name(2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboximidamide
PubChem CID96560387
Molecular FormulaC11H14FN3O2S
Molecular Weight271.32 g/mol
Exact Mass271.08
IUPAC Name(2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboximidamide
SMILES[H]/N=C(\N)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FN3O2S/c12-8-3-5-9(6-4-8)18(16,17)15-7-1-2-10(15)11(13)14/h3-6,10H,1-2,7H2,(H3,13,14)/t10-/m1/s1
InChIKeyMLZRRAQFOLZMFE-SNVBAGLBSA-N
XLogP0.91
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2947537
(2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 90935377
1-[(3-fluoro-2-pyridinyl)sulfonyl]pyrrolidine-2-carboximidamide
CID 103308737
(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid;piperazine-1-carboxamide
CID 22876272
methyl (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate;hydrofluoride
CID 144826687
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394
4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide
CID 42938535
(1-aminoethylideneamino) (2S)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylate
CID 86759129
(2S)-N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865510
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
(2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide
CID 51935537
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 1487032

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboximidamide?
The IUPAC name of (2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboximidamide (CID 96560387) is (2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboximidamide.
What is the SMILES notation for (2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboximidamide?
The canonical SMILES for (2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboximidamide is [H]/N=C(\N)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboximidamide?
The InChIKey is MLZRRAQFOLZMFE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14FN3O2S/c12-8-3-5-9(6-4-8)18(16,17)15-7-1-2-10(15)11(13)14/h3-6,10H,1-2,7H2,(H3,13,14)/t10-/m1/s1.
What are the key properties of (2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboximidamide?
(2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboximidamide has a molecular weight of 271.32 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboximidamide is sourced from PubChem (CID 96560387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).