3-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,2-thiazolidine

C16H16FNO2S2 — CID 86224667

IUPAC3-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,2-thiazolidine
SMILESCc1ccc(S(=O)(=O)N2SCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2S2/c1-12-2-8-15(9-3-12)22(19,20)18-16(10-11-21-18)13-4-6-14(17)7-5-13/h2-9,16H,10-11H2,1H3
InChIKeyVEYPYNUVQMCASN-UHFFFAOYSA-N
MW337.44 g/mol
LogP3.92
Rot. Bonds3

About 3-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,2-thiazolidine

3-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,2-thiazolidine (PubChem CID 86224667) has the molecular formula C16H16FNO2S2 and a molecular weight of 337.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,2-thiazolidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,2-thiazolidine
PubChem CID86224667
Molecular FormulaC16H16FNO2S2
Molecular Weight337.44 g/mol
Exact Mass337.06
IUPAC Name3-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,2-thiazolidine
SMILESCc1ccc(S(=O)(=O)N2SCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2S2/c1-12-2-8-15(9-3-12)22(19,20)18-16(10-11-21-18)13-4-6-14(17)7-5-13/h2-9,16H,10-11H2,1H3
InChIKeyVEYPYNUVQMCASN-UHFFFAOYSA-N
XLogP3.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-thiazolidine
CID 86224665
(2R)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 101342795
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
(2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 162407869
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 22250435
2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 164682677
(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
CID 24764030
3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 10292985
5-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2H-tetrazole
CID 22250448
2-(4-chlorobutyl)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 22250478
2-(4-fluorophenyl)-5-(4-methoxybutyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 10201316

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,2-thiazolidine?
The IUPAC name of 3-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,2-thiazolidine (CID 86224667) is 3-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,2-thiazolidine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,2-thiazolidine?
The canonical SMILES for 3-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,2-thiazolidine is Cc1ccc(S(=O)(=O)N2SCCC2c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,2-thiazolidine?
The InChIKey is VEYPYNUVQMCASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S2/c1-12-2-8-15(9-3-12)22(19,20)18-16(10-11-21-18)13-4-6-14(17)7-5-13/h2-9,16H,10-11H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,2-thiazolidine?
3-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,2-thiazolidine has a molecular weight of 337.44 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,2-thiazolidine is sourced from PubChem (CID 86224667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).