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

C17H16F3NO3S2 — CID 646735

IUPAC2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine
SMILESCOc1ccccc1C1SCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO3S2/c1-24-15-8-3-2-7-14(15)16-21(9-10-25-16)26(22,23)13-6-4-5-12(11-13)17(18,19)20/h2-8,11,16H,9-10H2,1H3
InChIKeyIANULKJFHGLGOX-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.15
Rot. Bonds4

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

2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine (PubChem CID 646735) has the molecular formula C17H16F3NO3S2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine
PubChem CID646735
Molecular FormulaC17H16F3NO3S2
Molecular Weight403.45 g/mol
Exact Mass403.05
IUPAC Name2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine
SMILESCOc1ccccc1C1SCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO3S2/c1-24-15-8-3-2-7-14(15)16-21(9-10-25-16)26(22,23)13-6-4-5-12(11-13)17(18,19)20/h2-8,11,16H,9-10H2,1H3
InChIKeyIANULKJFHGLGOX-UHFFFAOYSA-N
XLogP4.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Uk-390957
CID 9884876
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CID 9947569
2-(4-Methoxyphenyl)-1,3-thiazolan-3-yl phenyl sulfone
CID 2859306
2-(2,5-Dimethoxyphenyl)-3-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,3-thiazolidine
CID 3236242
3-(Benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine
CID 4174260
4-(Benzenesulfonyl)-1-[(2-methoxyphenyl)methyl]piperidine;2,2,2-trifluoroacetic acid
CID 45488925
3-[(4-Methoxy-3-methylphenyl)sulfonyl]-2-methyl-1,3-thiazolidine
CID 5153059
2-(2-Methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine
CID 664712
3-((Dimethylamino)methyl)-4-(4-(methylsulfinyl)phenoxy)benzenesulfonamide
CID 25032786
3-(4-Methoxy-benzenesulfonyl)-2-phenyl-thiazolidine
CID 648993
N-(2-methoxybenzyl)-N-methylthiophene-2-sulfonamide
CID 2531281
N-[3-[(2-methoxyphenyl)methylamino]propyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 168281666

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine (CID 646735) is 2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine is COc1ccccc1C1SCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine?
The InChIKey is IANULKJFHGLGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3S2/c1-24-15-8-3-2-7-14(15)16-21(9-10-25-16)26(22,23)13-6-4-5-12(11-13)17(18,19)20/h2-8,11,16H,9-10H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine?
2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine has a molecular weight of 403.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 646735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).