3-(5-chloro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine

C19H22ClNO5S2 — CID 122330878

IUPAC3-(5-chloro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c(C2SCCN2S(=O)(=O)c2cc(Cl)ccc2C)cc1OC
InChIInChI=1S/C19H22ClNO5S2/c1-12-5-6-13(20)9-18(12)28(22,23)21-7-8-27-19(21)14-10-16(25-3)17(26-4)11-15(14)24-2/h5-6,9-11,19H,7-8H2,1-4H3
InChIKeyBIOSUZWSDCIAKL-UHFFFAOYSA-N
MW443.97 g/mol
LogP4.11
Rot. Bonds6

About 3-(5-chloro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine

3-(5-chloro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (PubChem CID 122330878) has the molecular formula C19H22ClNO5S2 and a molecular weight of 443.97 g/mol. Its IUPAC name is 3-(5-chloro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(5-chloro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
PubChem CID122330878
Molecular FormulaC19H22ClNO5S2
Molecular Weight443.97 g/mol
Exact Mass443.06
IUPAC Name3-(5-chloro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c(C2SCCN2S(=O)(=O)c2cc(Cl)ccc2C)cc1OC
InChIInChI=1S/C19H22ClNO5S2/c1-12-5-6-13(20)9-18(12)28(22,23)21-7-8-27-19(21)14-10-16(25-3)17(26-4)11-15(14)24-2/h5-6,9-11,19H,7-8H2,1-4H3
InChIKeyBIOSUZWSDCIAKL-UHFFFAOYSA-N
XLogP4.11
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.97
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(5-chloro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (CID 122330878) is 3-(5-chloro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(5-chloro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(5-chloro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is COc1cc(OC)c(C2SCCN2S(=O)(=O)c2cc(Cl)ccc2C)cc1OC.
What is the InChIKey of 3-(5-chloro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The InChIKey is BIOSUZWSDCIAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO5S2/c1-12-5-6-13(20)9-18(12)28(22,23)21-7-8-27-19(21)14-10-16(25-3)17(26-4)11-15(14)24-2/h5-6,9-11,19H,7-8H2,1-4H3.
What are the key properties of 3-(5-chloro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
3-(5-chloro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine has a molecular weight of 443.97 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 122330878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).