2-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine

C16H13ClF3NO2S2 — CID 4912852

IUPAC2-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCSC1c1cccc(Cl)c1
InChIInChI=1S/C16H13ClF3NO2S2/c17-13-5-1-3-11(9-13)15-21(7-8-24-15)25(22,23)14-6-2-4-12(10-14)16(18,19)20/h1-6,9-10,15H,7-8H2
InChIKeyVXBVUGWAHUMTKP-UHFFFAOYSA-N
MW407.87 g/mol
LogP4.80
Rot. Bonds3

About 2-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine

2-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine (PubChem CID 4912852) has the molecular formula C16H13ClF3NO2S2 and a molecular weight of 407.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine
PubChem CID4912852
Molecular FormulaC16H13ClF3NO2S2
Molecular Weight407.87 g/mol
Exact Mass407.00
IUPAC Name2-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCSC1c1cccc(Cl)c1
InChIInChI=1S/C16H13ClF3NO2S2/c17-13-5-1-3-11(9-13)15-21(7-8-24-15)25(22,23)14-6-2-4-12(10-14)16(18,19)20/h1-6,9-10,15H,7-8H2
InChIKeyVXBVUGWAHUMTKP-UHFFFAOYSA-N
XLogP4.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.87
LogP ≤ 54.80
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-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine (CID 4912852) is 2-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCSC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine?
The InChIKey is VXBVUGWAHUMTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO2S2/c17-13-5-1-3-11(9-13)15-21(7-8-24-15)25(22,23)14-6-2-4-12(10-14)16(18,19)20/h1-6,9-10,15H,7-8H2.
What are the key properties of 2-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine?
2-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine has a molecular weight of 407.87 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 4912852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).