4-[[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2,1,3-benzothiadiazole

C15H11Cl2N3O2S3 — CID 122331154

IUPAC4-[[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3O2S3/c16-9-4-5-10(11(17)8-9)15-20(6-7-23-15)25(21,22)13-3-1-2-12-14(13)19-24-18-12/h1-5,8,15H,6-7H2
InChIKeyPHNGVXCROPYWBC-UHFFFAOYSA-N
MW432.38 g/mol
LogP4.43
Rot. Bonds3

About 4-[[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2,1,3-benzothiadiazole

4-[[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2,1,3-benzothiadiazole (PubChem CID 122331154) has the molecular formula C15H11Cl2N3O2S3 and a molecular weight of 432.38 g/mol. Its IUPAC name is 4-[[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-[[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2,1,3-benzothiadiazole
PubChem CID122331154
Molecular FormulaC15H11Cl2N3O2S3
Molecular Weight432.38 g/mol
Exact Mass430.94
IUPAC Name4-[[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3O2S3/c16-9-4-5-10(11(17)8-9)15-20(6-7-23-15)25(21,22)13-3-1-2-12-14(13)19-24-18-12/h1-5,8,15H,6-7H2
InChIKeyPHNGVXCROPYWBC-UHFFFAOYSA-N
XLogP4.43
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.38
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2,1,3-benzothiadiazole?
The IUPAC name of 4-[[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2,1,3-benzothiadiazole (CID 122331154) is 4-[[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-[[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2,1,3-benzothiadiazole?
The canonical SMILES for 4-[[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2,1,3-benzothiadiazole is O=S(=O)(c1cccc2nsnc12)N1CCSC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2,1,3-benzothiadiazole?
The InChIKey is PHNGVXCROPYWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2S3/c16-9-4-5-10(11(17)8-9)15-20(6-7-23-15)25(21,22)13-3-1-2-12-14(13)19-24-18-12/h1-5,8,15H,6-7H2.
What are the key properties of 4-[[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2,1,3-benzothiadiazole?
4-[[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2,1,3-benzothiadiazole has a molecular weight of 432.38 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-2,1,3-benzothiadiazole is sourced from PubChem (CID 122331154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).