[1-[[4-fluoro-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone

C18H21F2N5O3S — CID 171144242

IUPAC[1-[[4-fluoro-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cn(CC2CC(F)CN2S(=O)(=O)c2cccc(F)c2)nn1)N1CCCC1
InChIInChI=1S/C18H21F2N5O3S/c19-13-4-3-5-16(9-13)29(27,28)25-10-14(20)8-15(25)11-24-12-17(21-22-24)18(26)23-6-1-2-7-23/h3-5,9,12,14-15H,1-2,6-8,10-11H2
InChIKeyARYJNCRSEFBWNC-UHFFFAOYSA-N
MW425.46 g/mol
LogP1.45
Rot. Bonds5

About [1-[[4-fluoro-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone

[1-[[4-fluoro-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 171144242) has the molecular formula C18H21F2N5O3S and a molecular weight of 425.46 g/mol. Its IUPAC name is [1-[[4-fluoro-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[[4-fluoro-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID171144242
Molecular FormulaC18H21F2N5O3S
Molecular Weight425.46 g/mol
Exact Mass425.13
IUPAC Name[1-[[4-fluoro-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cn(CC2CC(F)CN2S(=O)(=O)c2cccc(F)c2)nn1)N1CCCC1
InChIInChI=1S/C18H21F2N5O3S/c19-13-4-3-5-16(9-13)29(27,28)25-10-14(20)8-15(25)11-24-12-17(21-22-24)18(26)23-6-1-2-7-23/h3-5,9,12,14-15H,1-2,6-8,10-11H2
InChIKeyARYJNCRSEFBWNC-UHFFFAOYSA-N
XLogP1.45
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[[4-fluoro-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone 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

1-[[4-fluoro-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methyl]-N-propan-2-yltriazole-4-carboxamide
CID 171148588
pyrrolidin-1-yl-[1-[[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methyl]triazol-4-yl]methanone
CID 25290515
1-[[4-fluoro-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide
CID 171141471
1-[2-[(2S,4S)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
CID 129469988
1-[[4-fluoro-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide
CID 171141442
[4-(benzenesulfonyl)piperazin-1-yl]-(1-benzyltriazol-4-yl)methanone
CID 31769999
[(1R,5S)-8-(3-fluorophenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-(2H-triazol-4-yl)methanone
CID 139593465
1-[[4-fluoro-1-[2-(2-methylphenyl)acetyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide
CID 171141526
2-(azocan-1-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8679846
1-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546295
N-methyl-N-[2-[4-(piperidine-1-carbonyl)triazol-1-yl]ethyl]benzenesulfonamide
CID 42362609
2-cyclopentyl-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9369541

Frequently Asked Questions

What is the IUPAC name of [1-[[4-fluoro-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[[4-fluoro-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone (CID 171144242) is [1-[[4-fluoro-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[[4-fluoro-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[[4-fluoro-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1cn(CC2CC(F)CN2S(=O)(=O)c2cccc(F)c2)nn1)N1CCCC1.
What is the InChIKey of [1-[[4-fluoro-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ARYJNCRSEFBWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O3S/c19-13-4-3-5-16(9-13)29(27,28)25-10-14(20)8-15(25)11-24-12-17(21-22-24)18(26)23-6-1-2-7-23/h3-5,9,12,14-15H,1-2,6-8,10-11H2.
What are the key properties of [1-[[4-fluoro-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone?
[1-[[4-fluoro-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 425.46 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-fluoro-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 171144242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).