3-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine

C16H17NO3S2 — CID 4174260

IUPAC3-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccccc1C1SCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17NO3S2/c1-20-15-10-6-5-9-14(15)16-17(11-12-21-16)22(18,19)13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3
InChIKeyYUBRXPLLZQONCZ-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.13
Rot. Bonds4

About 3-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine

3-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine (PubChem CID 4174260) has the molecular formula C16H17NO3S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine
PubChem CID4174260
Molecular FormulaC16H17NO3S2
Molecular Weight335.45 g/mol
Exact Mass335.06
IUPAC Name3-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccccc1C1SCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17NO3S2/c1-20-15-10-6-5-9-14(15)16-17(11-12-21-16)22(18,19)13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3
InChIKeyYUBRXPLLZQONCZ-UHFFFAOYSA-N
XLogP3.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Uk-390957
CID 9884876
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2-(3,4-Dimethoxy-phenyl)-3-(4-fluoro-benzenesulfonyl)-thiazolidine
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2-(2,5-Dimethoxyphenyl)-3-(methylsulfonyl)-1,3-thiazolidine
CID 3151547
2-(2-Methoxy-phenyl)-3-(3-trifluoromethyl-benzenesulfonyl)-thiazolidine
CID 646735
3-Benzenesulfonyl-2-(3,4-dimethoxy-phenyl)-thiazolidine
CID 652980
2-(4-Methoxyphenyl)-1,3-thiazolan-3-yl phenyl sulfone
CID 2859306
7-(Benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane
CID 3232725
(5S)-7-(benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 3233654
3-(Benzenesulfonyl)-9-[(2-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane
CID 3234428
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CID 3234652

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine (CID 4174260) is 3-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine is COc1ccccc1C1SCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine?
The InChIKey is YUBRXPLLZQONCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S2/c1-20-15-10-6-5-9-14(15)16-17(11-12-21-16)22(18,19)13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine?
3-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine has a molecular weight of 335.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 4174260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).