2-(4-chlorophenyl)-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole

C16H11ClN2O2S2 — CID 1211584

IUPAC2-(4-chlorophenyl)-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole
SMILESCS(=O)(=O)c1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C16H11ClN2O2S2/c1-23(20,21)12-6-7-14-15(8-12)22-16-18-13(9-19(14)16)10-2-4-11(17)5-3-10/h2-9H,1H3
InChIKeyHSOVSLGHXBWSIK-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.27
Rot. Bonds2

About 2-(4-chlorophenyl)-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole

2-(4-chlorophenyl)-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 1211584) has the molecular formula C16H11ClN2O2S2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole
PubChem CID1211584
Molecular FormulaC16H11ClN2O2S2
Molecular Weight362.86 g/mol
Exact Mass362.00
IUPAC Name2-(4-chlorophenyl)-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole
SMILESCS(=O)(=O)c1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C16H11ClN2O2S2/c1-23(20,21)12-6-7-14-15(8-12)22-16-18-13(9-19(14)16)10-2-4-11(17)5-3-10/h2-9H,1H3
InChIKeyHSOVSLGHXBWSIK-UHFFFAOYSA-N
XLogP4.27
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(4-chlorophenyl)-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole (CID 1211584) is 2-(4-chlorophenyl)-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(4-chlorophenyl)-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole is CS(=O)(=O)c1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3)cn12.
What is the InChIKey of 2-(4-chlorophenyl)-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is HSOVSLGHXBWSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2S2/c1-23(20,21)12-6-7-14-15(8-12)22-16-18-13(9-19(14)16)10-2-4-11(17)5-3-10/h2-9H,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole?
2-(4-chlorophenyl)-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 362.86 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 1211584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).