5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole

C13H14FN3O2S — CID 51611902

IUPAC5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole
SMILESO=S(=O)(c1cnc[nH]1)N1CCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O2S/c14-11-5-3-10(4-6-11)12-2-1-7-17(12)20(18,19)13-8-15-9-16-13/h3-6,8-9,12H,1-2,7H2,(H,15,16)/t12-/m0/s1
InChIKeyPEJXYZDLQZXKNJ-LBPRGKRZSA-N
MW295.34 g/mol
LogP2.07
Rot. Bonds3

About 5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole

5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole (PubChem CID 51611902) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole.

Molecular Properties

Compound Name5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole
PubChem CID51611902
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole
SMILESO=S(=O)(c1cnc[nH]1)N1CCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O2S/c14-11-5-3-10(4-6-11)12-2-1-7-17(12)20(18,19)13-8-15-9-16-13/h3-6,8-9,12H,1-2,7H2,(H,15,16)/t12-/m0/s1
InChIKeyPEJXYZDLQZXKNJ-LBPRGKRZSA-N
XLogP2.07
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperidine
CID 6619456
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123
(2R)-1-(1H-imidazol-5-ylsulfonyl)piperidine-2-carboxylic acid
CID 79034784
N'-hydroxy-1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-2-carboximidamide
CID 77036319
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylpiperidine
CID 134022396
(2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 51856541
(2R)-1-cyclopropylsulfonyl-2-(4-fluorophenyl)piperidine
CID 95724978
4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide
CID 42938535
8-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylquinoline
CID 2738249
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 32681927

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole?
The IUPAC name of 5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole (CID 51611902) is 5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole.
What is the SMILES notation for 5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole?
The canonical SMILES for 5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole is O=S(=O)(c1cnc[nH]1)N1CCC[C@H]1c1ccc(F)cc1.
What is the InChIKey of 5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole?
The InChIKey is PEJXYZDLQZXKNJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c14-11-5-3-10(4-6-11)12-2-1-7-17(12)20(18,19)13-8-15-9-16-13/h3-6,8-9,12H,1-2,7H2,(H,15,16)/t12-/m0/s1.
What are the key properties of 5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole?
5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole has a molecular weight of 295.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole is sourced from PubChem (CID 51611902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).