3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine

C15H15NO3S2 — CID 852139

IUPAC3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESO=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCSC1
InChIInChI=1S/C15H15NO3S2/c17-21(18,16-10-11-20-12-16)15-8-6-14(7-9-15)19-13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyCSEHFNVGDLJHFL-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.17
Rot. Bonds4

About 3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine

3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 852139) has the molecular formula C15H15NO3S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
PubChem CID852139
Molecular FormulaC15H15NO3S2
Molecular Weight321.42 g/mol
Exact Mass321.05
IUPAC Name3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESO=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCSC1
InChIInChI=1S/C15H15NO3S2/c17-21(18,16-10-11-20-12-16)15-8-6-14(7-9-15)19-13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyCSEHFNVGDLJHFL-UHFFFAOYSA-N
XLogP3.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(4-phenoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
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1-(4-phenoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
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2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-phenoxyphenyl)pyrimidine
CID 46081952
2-(4-phenoxyphenyl)sulfonyl-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole
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4-[6-methyl-2-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine (CID 852139) is 3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine is O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCSC1.
What is the InChIKey of 3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is CSEHFNVGDLJHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S2/c17-21(18,16-10-11-20-12-16)15-8-6-14(7-9-15)19-13-4-2-1-3-5-13/h1-9H,10-12H2.
What are the key properties of 3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine?
3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 321.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 852139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).