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

C16H17NO3S2 — CID 2859306

IUPAC3-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(C2SCCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S2/c1-20-14-9-7-13(8-10-14)16-17(11-12-21-16)22(18,19)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3
InChIKeyRMJKDUJAELMCNT-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.13
Rot. Bonds4

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

3-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-thiazolidine (PubChem CID 2859306) has the molecular formula C16H17NO3S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-thiazolidine
PubChem CID2859306
Molecular FormulaC16H17NO3S2
Molecular Weight335.45 g/mol
Exact Mass335.06
IUPAC Name3-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(C2SCCN2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S2/c1-20-14-9-7-13(8-10-14)16-17(11-12-21-16)22(18,19)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3
InChIKeyRMJKDUJAELMCNT-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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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-thiazolidine (CID 2859306) is 3-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-thiazolidine is COc1ccc(C2SCCN2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-thiazolidine?
The InChIKey is RMJKDUJAELMCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S2/c1-20-14-9-7-13(8-10-14)16-17(11-12-21-16)22(18,19)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-thiazolidine?
3-(benzenesulfonyl)-2-(4-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-(4-methoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 2859306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).