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

C21H18ClNO2S2 — CID 23938405

IUPAC2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCSC1c1cccc(Cl)c1
InChIInChI=1S/C21H18ClNO2S2/c22-19-8-4-7-18(15-19)21-23(13-14-26-21)27(24,25)20-11-9-17(10-12-20)16-5-2-1-3-6-16/h1-12,15,21H,13-14H2
InChIKeyXKCHFFKDLOQQQN-UHFFFAOYSA-N
MW415.97 g/mol
LogP5.44
Rot. Bonds4

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

2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 23938405) has the molecular formula C21H18ClNO2S2 and a molecular weight of 415.97 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID23938405
Molecular FormulaC21H18ClNO2S2
Molecular Weight415.97 g/mol
Exact Mass415.05
IUPAC Name2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCSC1c1cccc(Cl)c1
InChIInChI=1S/C21H18ClNO2S2/c22-19-8-4-7-18(15-19)21-23(13-14-26-21)27(24,25)20-11-9-17(10-12-20)16-5-2-1-3-6-16/h1-12,15,21H,13-14H2
InChIKeyXKCHFFKDLOQQQN-UHFFFAOYSA-N
XLogP5.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.97
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine (CID 23938405) is 2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine is O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCSC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is XKCHFFKDLOQQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO2S2/c22-19-8-4-7-18(15-19)21-23(13-14-26-21)27(24,25)20-11-9-17(10-12-20)16-5-2-1-3-6-16/h1-12,15,21H,13-14H2.
What are the key properties of 2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine?
2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 415.97 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 23938405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).