3-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-thiazolidine

C15H14ClNO2S2 — CID 3123270

IUPAC3-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-thiazolidine
SMILESO=S(=O)(c1ccccc1)N1CCSC1c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2S2/c16-13-8-6-12(7-9-13)15-17(10-11-20-15)21(18,19)14-4-2-1-3-5-14/h1-9,15H,10-11H2
InChIKeyIUVJGHUBFWVJIL-UHFFFAOYSA-N
MW339.87 g/mol
LogP3.78
Rot. Bonds3

About 3-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-thiazolidine

3-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-thiazolidine (PubChem CID 3123270) has the molecular formula C15H14ClNO2S2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-thiazolidine
PubChem CID3123270
Molecular FormulaC15H14ClNO2S2
Molecular Weight339.87 g/mol
Exact Mass339.02
IUPAC Name3-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-thiazolidine
SMILESO=S(=O)(c1ccccc1)N1CCSC1c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2S2/c16-13-8-6-12(7-9-13)15-17(10-11-20-15)21(18,19)14-4-2-1-3-5-14/h1-9,15H,10-11H2
InChIKeyIUVJGHUBFWVJIL-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 ≤ 500339.87
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-thiazolidine?
The IUPAC name of 3-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-thiazolidine (CID 3123270) is 3-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-thiazolidine is O=S(=O)(c1ccccc1)N1CCSC1c1ccc(Cl)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-thiazolidine?
The InChIKey is IUVJGHUBFWVJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S2/c16-13-8-6-12(7-9-13)15-17(10-11-20-15)21(18,19)14-4-2-1-3-5-14/h1-9,15H,10-11H2.
What are the key properties of 3-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-thiazolidine?
3-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-thiazolidine has a molecular weight of 339.87 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 3-(benzenesulfonyl)-2-(4-chlorophenyl)-1,3-thiazolidine is sourced from PubChem (CID 3123270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).