2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole

C13H15FN4O2S — CID 121178833

IUPAC2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole
SMILESO=S(=O)(Cc1cccc(F)c1)N1CCC(n2nccn2)C1
InChIInChI=1S/C13H15FN4O2S/c14-12-3-1-2-11(8-12)10-21(19,20)17-7-4-13(9-17)18-15-5-6-16-18/h1-3,5-6,8,13H,4,7,9-10H2
InChIKeyALIFMZBZCMSJNG-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.19
Rot. Bonds4

About 2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole

2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole (PubChem CID 121178833) has the molecular formula C13H15FN4O2S and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole
PubChem CID121178833
Molecular FormulaC13H15FN4O2S
Molecular Weight310.35 g/mol
Exact Mass310.09
IUPAC Name2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole
SMILESO=S(=O)(Cc1cccc(F)c1)N1CCC(n2nccn2)C1
InChIInChI=1S/C13H15FN4O2S/c14-12-3-1-2-11(8-12)10-21(19,20)17-7-4-13(9-17)18-15-5-6-16-18/h1-3,5-6,8,13H,4,7,9-10H2
InChIKeyALIFMZBZCMSJNG-UHFFFAOYSA-N
XLogP1.19
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(3-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole
CID 121178855
[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine
CID 119971950
1-[1-[(3-fluorophenyl)methylsulfonyl]azetidin-3-yl]triazole
CID 121154926
3-(benzenesulfonyl)-1-[(3-fluorophenyl)methylsulfonyl]pyrrolidine
CID 71805609
1-[(3-fluorophenyl)methylsulfonyl]-3-methylpiperazine
CID 119981962
1-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)piperidine
CID 121092351
4-cyclopropylidene-1-[(3-fluorophenyl)methylsulfonyl]piperidine
CID 121187196
1-[(3-fluorophenyl)methylsulfonyl]-4-(2-pyrazol-1-ylethyl)piperazine
CID 121094988
2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 90542560
1-[(3-fluorophenyl)methylsulfonyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 56586816
1-[(3-fluorophenyl)methylsulfonyl]-4-(2-imidazol-1-ylethyl)piperazine
CID 90533594
2-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121178856

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole?
The IUPAC name of 2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole (CID 121178833) is 2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole is O=S(=O)(Cc1cccc(F)c1)N1CCC(n2nccn2)C1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole?
The InChIKey is ALIFMZBZCMSJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2S/c14-12-3-1-2-11(8-12)10-21(19,20)17-7-4-13(9-17)18-15-5-6-16-18/h1-3,5-6,8,13H,4,7,9-10H2.
What are the key properties of 2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole?
2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole has a molecular weight of 310.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole is sourced from PubChem (CID 121178833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).