2-[4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butyl]tetrazole

C22H26FN5O2S — CID 10203835

IUPAC2-[4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butyl]tetrazole
SMILESCc1ccc(S(=O)(=O)N2C(CCCCn3ncnn3)CCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C22H26FN5O2S/c1-17-5-12-21(13-6-17)31(29,30)28-20(4-2-3-15-27-25-16-24-26-27)11-14-22(28)18-7-9-19(23)10-8-18/h5-10,12-13,16,20,22H,2-4,11,14-15H2,1H3
InChIKeyYIYRCVKXJVILLE-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.89
Rot. Bonds8

About 2-[4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butyl]tetrazole

2-[4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butyl]tetrazole (PubChem CID 10203835) has the molecular formula C22H26FN5O2S and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-[4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butyl]tetrazole.

Molecular Properties

Compound Name2-[4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butyl]tetrazole
PubChem CID10203835
Molecular FormulaC22H26FN5O2S
Molecular Weight443.55 g/mol
Exact Mass443.18
IUPAC Name2-[4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butyl]tetrazole
SMILESCc1ccc(S(=O)(=O)N2C(CCCCn3ncnn3)CCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C22H26FN5O2S/c1-17-5-12-21(13-6-17)31(29,30)28-20(4-2-3-15-27-25-16-24-26-27)11-14-22(28)18-7-9-19(23)10-8-18/h5-10,12-13,16,20,22H,2-4,11,14-15H2,1H3
InChIKeyYIYRCVKXJVILLE-UHFFFAOYSA-N
XLogP3.89
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butyl]tetrazole 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-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]tetrazole
CID 22250490
2-(4-chlorobutyl)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 22250478
1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]pyrazole
CID 10224403
3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 10292985
2-(4-fluorophenyl)-5-(4-methoxybutyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 10201316
2-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]-5-methyl-1,3-dihydrotetrazole
CID 70019027
1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]imidazole
CID 10137364
[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 22250435
4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butanimidamide
CID 22250424
(2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 162407869
2-(bromomethyl)-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 102099481
5-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2H-tetrazole
CID 22250448

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butyl]tetrazole?
The IUPAC name of 2-[4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butyl]tetrazole (CID 10203835) is 2-[4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butyl]tetrazole.
What is the SMILES notation for 2-[4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butyl]tetrazole?
The canonical SMILES for 2-[4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butyl]tetrazole is Cc1ccc(S(=O)(=O)N2C(CCCCn3ncnn3)CCC2c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butyl]tetrazole?
The InChIKey is YIYRCVKXJVILLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2S/c1-17-5-12-21(13-6-17)31(29,30)28-20(4-2-3-15-27-25-16-24-26-27)11-14-22(28)18-7-9-19(23)10-8-18/h5-10,12-13,16,20,22H,2-4,11,14-15H2,1H3.
What are the key properties of 2-[4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butyl]tetrazole?
2-[4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butyl]tetrazole has a molecular weight of 443.55 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butyl]tetrazole is sourced from PubChem (CID 10203835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).