4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine

C14H14FN3O2S — CID 110114763

IUPAC4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine
SMILESO=S(=O)(c1cccc(F)c1)N1CCCC1c1ccncn1
InChIInChI=1S/C14H14FN3O2S/c15-11-3-1-4-12(9-11)21(19,20)18-8-2-5-14(18)13-6-7-16-10-17-13/h1,3-4,6-7,9-10,14H,2,5,8H2
InChIKeyVVVMULCNISYEGG-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.14
Rot. Bonds3

About 4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine

4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine (PubChem CID 110114763) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine.

Molecular Properties

Compound Name4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine
PubChem CID110114763
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC Name4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine
SMILESO=S(=O)(c1cccc(F)c1)N1CCCC1c1ccncn1
InChIInChI=1S/C14H14FN3O2S/c15-11-3-1-4-12(9-11)21(19,20)18-8-2-5-14(18)13-6-7-16-10-17-13/h1,3-4,6-7,9-10,14H,2,5,8H2
InChIKeyVVVMULCNISYEGG-UHFFFAOYSA-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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Related Compounds

4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine
CID 124967389
6-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 118740204
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 124976182
1-(3-fluorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 18170893
1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
CID 118740396
4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 60727492
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
2-(1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 126778989
3-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 18096917
N,N-diethyl-2-pyrimidin-4-ylpyrrolidine-1-sulfonamide
CID 110114762
4-(2-pyrimidin-4-ylpyrrolidin-1-yl)sulfonylmorpholine
CID 110096218
(2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 51855630

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine?
The IUPAC name of 4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine (CID 110114763) is 4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine.
What is the SMILES notation for 4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine?
The canonical SMILES for 4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine is O=S(=O)(c1cccc(F)c1)N1CCCC1c1ccncn1.
What is the InChIKey of 4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine?
The InChIKey is VVVMULCNISYEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c15-11-3-1-4-12(9-11)21(19,20)18-8-2-5-14(18)13-6-7-16-10-17-13/h1,3-4,6-7,9-10,14H,2,5,8H2.
What are the key properties of 4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine?
4-[1-(3-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-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine is sourced from PubChem (CID 110114763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).