(2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide

C11H14FN3O3S — CID 90935377

IUPAC(2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
SMILESNC(=NO)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FN3O3S/c12-8-3-5-9(6-4-8)19(17,18)15-7-1-2-10(15)11(13)14-16/h3-6,10,16H,1-2,7H2,(H2,13,14)/t10-/m0/s1
InChIKeyUSDLRIZAGJBPCP-JTQLQIEISA-N
MW287.32 g/mol
LogP0.73
Rot. Bonds3

About (2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide

(2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide (PubChem CID 90935377) has the molecular formula C11H14FN3O3S and a molecular weight of 287.32 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
PubChem CID90935377
Molecular FormulaC11H14FN3O3S
Molecular Weight287.32 g/mol
Exact Mass287.07
IUPAC Name(2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
SMILESNC(=NO)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FN3O3S/c12-8-3-5-9(6-4-8)19(17,18)15-7-1-2-10(15)11(13)14-16/h3-6,10,16H,1-2,7H2,(H2,13,14)/t10-/m0/s1
InChIKeyUSDLRIZAGJBPCP-JTQLQIEISA-N
XLogP0.73
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2947537
(2R)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboximidamide
CID 96560387
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394
N'-hydroxy-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboximidamide
CID 77036044
(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-aminoethylideneamino) (2S)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylate
CID 86759129
(2S)-N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865510
1-(2-bromophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036015
4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide
CID 42938535
[[amino-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]methylidene]amino] pyrazine-2-carboxylate
CID 57241586
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide?
The IUPAC name of (2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide (CID 90935377) is (2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide.
What is the SMILES notation for (2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide?
The canonical SMILES for (2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide is NC(=NO)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide?
The InChIKey is USDLRIZAGJBPCP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14FN3O3S/c12-8-3-5-9(6-4-8)19(17,18)15-7-1-2-10(15)11(13)14-16/h3-6,10,16H,1-2,7H2,(H2,13,14)/t10-/m0/s1.
What are the key properties of (2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide?
(2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide has a molecular weight of 287.32 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide is sourced from PubChem (CID 90935377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).