3-(3-methylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine

C16H17NO2S2 — CID 3456228

IUPAC3-(3-methylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
SMILESCc1cccc(S(=O)(=O)N2CCSC2c2ccccc2)c1
InChIInChI=1S/C16H17NO2S2/c1-13-6-5-9-15(12-13)21(18,19)17-10-11-20-16(17)14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3
InChIKeyKLQLDRCTUOMGGC-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.43
Rot. Bonds3

About 3-(3-methylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine

3-(3-methylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine (PubChem CID 3456228) has the molecular formula C16H17NO2S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-(3-methylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-(3-methylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
PubChem CID3456228
Molecular FormulaC16H17NO2S2
Molecular Weight319.45 g/mol
Exact Mass319.07
IUPAC Name3-(3-methylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
SMILESCc1cccc(S(=O)(=O)N2CCSC2c2ccccc2)c1
InChIInChI=1S/C16H17NO2S2/c1-13-6-5-9-15(12-13)21(18,19)17-10-11-20-16(17)14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3
InChIKeyKLQLDRCTUOMGGC-UHFFFAOYSA-N
XLogP3.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3157268
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CID 44568348
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CID 2813900
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CID 53384266
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CID 3868155
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CID 76312059
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CID 3144178
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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine?
The IUPAC name of 3-(3-methylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine (CID 3456228) is 3-(3-methylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine.
What is the SMILES notation for 3-(3-methylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine?
The canonical SMILES for 3-(3-methylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine is Cc1cccc(S(=O)(=O)N2CCSC2c2ccccc2)c1.
What is the InChIKey of 3-(3-methylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine?
The InChIKey is KLQLDRCTUOMGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S2/c1-13-6-5-9-15(12-13)21(18,19)17-10-11-20-16(17)14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3.
What are the key properties of 3-(3-methylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine?
3-(3-methylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine has a molecular weight of 319.45 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine is sourced from PubChem (CID 3456228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).