3-(4-methoxyphenyl)sulfonyl-2-phenyl-1,3-thiazolidine

C16H17NO3S2 — CID 648993

IUPAC3-(4-methoxyphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
SMILESCOc1ccc(S(=O)(=O)N2CCSC2c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S2/c1-20-14-7-9-15(10-8-14)22(18,19)17-11-12-21-16(17)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3
InChIKeyXXOLJLSMYOIFPG-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.13
Rot. Bonds4

About 3-(4-methoxyphenyl)sulfonyl-2-phenyl-1,3-thiazolidine

3-(4-methoxyphenyl)sulfonyl-2-phenyl-1,3-thiazolidine (PubChem CID 648993) has the molecular formula C16H17NO3S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-2-phenyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
PubChem CID648993
Molecular FormulaC16H17NO3S2
Molecular Weight335.45 g/mol
Exact Mass335.06
IUPAC Name3-(4-methoxyphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
SMILESCOc1ccc(S(=O)(=O)N2CCSC2c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S2/c1-20-14-7-9-15(10-8-14)22(18,19)17-11-12-21-16(17)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3
InChIKeyXXOLJLSMYOIFPG-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-(4-methoxyphenyl)sulfonyl-2-phenyl-1,3-thiazolidine?
The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-2-phenyl-1,3-thiazolidine (CID 648993) is 3-(4-methoxyphenyl)sulfonyl-2-phenyl-1,3-thiazolidine.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-2-phenyl-1,3-thiazolidine?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-2-phenyl-1,3-thiazolidine is COc1ccc(S(=O)(=O)N2CCSC2c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-2-phenyl-1,3-thiazolidine?
The InChIKey is XXOLJLSMYOIFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S2/c1-20-14-7-9-15(10-8-14)22(18,19)17-11-12-21-16(17)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)sulfonyl-2-phenyl-1,3-thiazolidine?
3-(4-methoxyphenyl)sulfonyl-2-phenyl-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-(4-methoxyphenyl)sulfonyl-2-phenyl-1,3-thiazolidine is sourced from PubChem (CID 648993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).