4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine

C14H14FN3O2S — CID 124967389

IUPAC4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine
SMILESO=S(=O)(c1ccccc1F)N1CCC[C@H]1c1ccncn1
InChIInChI=1S/C14H14FN3O2S/c15-11-4-1-2-6-14(11)21(19,20)18-9-3-5-13(18)12-7-8-16-10-17-12/h1-2,4,6-8,10,13H,3,5,9H2/t13-/m0/s1
InChIKeyISNARHPCYXCCFT-ZDUSSCGKSA-N
MW307.35 g/mol
LogP2.14
Rot. Bonds3

About 4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine

4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine (PubChem CID 124967389) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine.

Molecular Properties

Compound Name4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine
PubChem CID124967389
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC Name4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine
SMILESO=S(=O)(c1ccccc1F)N1CCC[C@H]1c1ccncn1
InChIInChI=1S/C14H14FN3O2S/c15-11-4-1-2-6-14(11)21(19,20)18-9-3-5-13(18)12-7-8-16-10-17-12/h1-2,4,6-8,10,13H,3,5,9H2/t13-/m0/s1
InChIKeyISNARHPCYXCCFT-ZDUSSCGKSA-N
XLogP2.14
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine?
The IUPAC name of 4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine (CID 124967389) is 4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine.
What is the SMILES notation for 4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine?
The canonical SMILES for 4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine is O=S(=O)(c1ccccc1F)N1CCC[C@H]1c1ccncn1.
What is the InChIKey of 4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine?
The InChIKey is ISNARHPCYXCCFT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c15-11-4-1-2-6-14(11)21(19,20)18-9-3-5-13(18)12-7-8-16-10-17-12/h1-2,4,6-8,10,13H,3,5,9H2/t13-/m0/s1.
What are the key properties of 4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine?
4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine has a molecular weight of 307.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine is sourced from PubChem (CID 124967389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).