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

C18H20ClNO5S2 — CID 2876678

IUPAC3-(4-chlorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c(C2SCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C18H20ClNO5S2/c1-23-15-11-17(25-3)16(24-2)10-14(15)18-20(8-9-26-18)27(21,22)13-6-4-12(19)5-7-13/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyMEANQVUBEIWDGE-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.80
Rot. Bonds6

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

3-(4-chlorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (PubChem CID 2876678) has the molecular formula C18H20ClNO5S2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
PubChem CID2876678
Molecular FormulaC18H20ClNO5S2
Molecular Weight429.95 g/mol
Exact Mass429.05
IUPAC Name3-(4-chlorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c(C2SCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C18H20ClNO5S2/c1-23-15-11-17(25-3)16(24-2)10-14(15)18-20(8-9-26-18)27(21,22)13-6-4-12(19)5-7-13/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyMEANQVUBEIWDGE-UHFFFAOYSA-N
XLogP3.80
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 655645
CID 655645
CID 998013
CID 998013
CID 25708140
CID 25708140
CID 32663166
CID 32663166
CID 2876677
CID 2876677
CID 3814993
CID 3814993
CID 1019569
CID 1019569
CID 2877294
CID 2877294
CID 3144173
CID 3144173
CID 3129093
CID 3129093
CID 3129094
CID 3129094
CID 4248303
CID 4248303

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (CID 2876678) is 3-(4-chlorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is COc1cc(OC)c(C2SCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The InChIKey is MEANQVUBEIWDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO5S2/c1-23-15-11-17(25-3)16(24-2)10-14(15)18-20(8-9-26-18)27(21,22)13-6-4-12(19)5-7-13/h4-7,10-11,18H,8-9H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
3-(4-chlorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine has a molecular weight of 429.95 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 2876678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).