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

C16H17NO2S2 — CID 86224665

IUPAC2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-thiazolidine
SMILESCc1ccc(S(=O)(=O)N2SCCC2c2ccccc2)cc1
InChIInChI=1S/C16H17NO2S2/c1-13-7-9-15(10-8-13)21(18,19)17-16(11-12-20-17)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3
InChIKeyODRVIXZYZQGTOZ-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.78
Rot. Bonds3

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

2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-thiazolidine (PubChem CID 86224665) has the molecular formula C16H17NO2S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-thiazolidine.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-thiazolidine
PubChem CID86224665
Molecular FormulaC16H17NO2S2
Molecular Weight319.45 g/mol
Exact Mass319.07
IUPAC Name2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-thiazolidine
SMILESCc1ccc(S(=O)(=O)N2SCCC2c2ccccc2)cc1
InChIInChI=1S/C16H17NO2S2/c1-13-7-9-15(10-8-13)21(18,19)17-16(11-12-20-17)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3
InChIKeyODRVIXZYZQGTOZ-UHFFFAOYSA-N
XLogP3.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.78
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

3-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,2-thiazolidine
CID 86224667
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 102473250
[(2S,5R)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-yl]methanol
CID 11336503
(2S,5R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidine
CID 162399176
4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine
CID 75025080
1,3-bis-(4-methylphenyl)sulfonyl-4-phenyl-1,3-diazinane
CID 164682661
(3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine
CID 102484859
2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine
CID 10967742
(3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine
CID 134953438
(2R,3R,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,3,5-triphenylpiperazine
CID 134953521

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-thiazolidine?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-thiazolidine (CID 86224665) is 2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-thiazolidine.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-thiazolidine?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-thiazolidine is Cc1ccc(S(=O)(=O)N2SCCC2c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-thiazolidine?
The InChIKey is ODRVIXZYZQGTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S2/c1-13-7-9-15(10-8-13)21(18,19)17-16(11-12-20-17)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-thiazolidine?
2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-thiazolidine has a molecular weight of 319.45 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-thiazolidine is sourced from PubChem (CID 86224665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).