2-(2,4-dichlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine

C21H17Cl2NO2S2 — CID 23945588

IUPAC2-(2,4-dichlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H17Cl2NO2S2/c22-17-8-11-19(20(23)14-17)21-24(12-13-27-21)28(25,26)18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-11,14,21H,12-13H2
InChIKeySNPUQJUNIWYUGB-UHFFFAOYSA-N
MW450.41 g/mol
LogP6.10
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine

2-(2,4-dichlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 23945588) has the molecular formula C21H17Cl2NO2S2 and a molecular weight of 450.41 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID23945588
Molecular FormulaC21H17Cl2NO2S2
Molecular Weight450.41 g/mol
Exact Mass449.01
IUPAC Name2-(2,4-dichlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H17Cl2NO2S2/c22-17-8-11-19(20(23)14-17)21-24(12-13-27-21)28(25,26)18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-11,14,21H,12-13H2
InChIKeySNPUQJUNIWYUGB-UHFFFAOYSA-N
XLogP6.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.41
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 7574021
2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 23938405
(2S)-2-(2-chlorophenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine
CID 7014418
2-(2-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine
CID 5143782
(2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 1362906
2-(2,4-dichlorophenyl)-3-(1H-imidazol-5-ylsulfonyl)-1,3-thiazolidine
CID 122331138
(2S)-2-(3-nitrophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 2055915
2-(3-nitrophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 2877097
4-[[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2,1,3-benzothiadiazole
CID 122331154
2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 46498253
(2S)-2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine
CID 41316900
(2R)-2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine
CID 41316899

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine (CID 23945588) is 2-(2,4-dichlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine is O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCSC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is SNPUQJUNIWYUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO2S2/c22-17-8-11-19(20(23)14-17)21-24(12-13-27-21)28(25,26)18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-11,14,21H,12-13H2.
What are the key properties of 2-(2,4-dichlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine?
2-(2,4-dichlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 450.41 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 23945588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).