2-(2-chlorophenyl)-4-(2,3-dichloro-4-ethylsulfonylphenyl)-1,3-thiazole

C17H12Cl3NO2S2 — CID 4303837

IUPAC2-(2-chlorophenyl)-4-(2,3-dichloro-4-ethylsulfonylphenyl)-1,3-thiazole
SMILESCCS(=O)(=O)c1ccc(-c2csc(-c3ccccc3Cl)n2)c(Cl)c1Cl
InChIInChI=1S/C17H12Cl3NO2S2/c1-2-25(22,23)14-8-7-11(15(19)16(14)20)13-9-24-17(21-13)10-5-3-4-6-12(10)18/h3-9H,2H2,1H3
InChIKeySNGPZFLLHKWETL-UHFFFAOYSA-N
MW432.78 g/mol
LogP6.23
Rot. Bonds4

About 2-(2-chlorophenyl)-4-(2,3-dichloro-4-ethylsulfonylphenyl)-1,3-thiazole

2-(2-chlorophenyl)-4-(2,3-dichloro-4-ethylsulfonylphenyl)-1,3-thiazole (PubChem CID 4303837) has the molecular formula C17H12Cl3NO2S2 and a molecular weight of 432.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(2,3-dichloro-4-ethylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(2,3-dichloro-4-ethylsulfonylphenyl)-1,3-thiazole
PubChem CID4303837
Molecular FormulaC17H12Cl3NO2S2
Molecular Weight432.78 g/mol
Exact Mass430.94
IUPAC Name2-(2-chlorophenyl)-4-(2,3-dichloro-4-ethylsulfonylphenyl)-1,3-thiazole
SMILESCCS(=O)(=O)c1ccc(-c2csc(-c3ccccc3Cl)n2)c(Cl)c1Cl
InChIInChI=1S/C17H12Cl3NO2S2/c1-2-25(22,23)14-8-7-11(15(19)16(14)20)13-9-24-17(21-13)10-5-3-4-6-12(10)18/h3-9H,2H2,1H3
InChIKeySNGPZFLLHKWETL-UHFFFAOYSA-N
XLogP6.23
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.78
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(2,3-dichloro-4-ethylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 2-(2-chlorophenyl)-4-(2,3-dichloro-4-ethylsulfonylphenyl)-1,3-thiazole (CID 4303837) is 2-(2-chlorophenyl)-4-(2,3-dichloro-4-ethylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(2,3-dichloro-4-ethylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-(2,3-dichloro-4-ethylsulfonylphenyl)-1,3-thiazole is CCS(=O)(=O)c1ccc(-c2csc(-c3ccccc3Cl)n2)c(Cl)c1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-4-(2,3-dichloro-4-ethylsulfonylphenyl)-1,3-thiazole?
The InChIKey is SNGPZFLLHKWETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3NO2S2/c1-2-25(22,23)14-8-7-11(15(19)16(14)20)13-9-24-17(21-13)10-5-3-4-6-12(10)18/h3-9H,2H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-(2,3-dichloro-4-ethylsulfonylphenyl)-1,3-thiazole?
2-(2-chlorophenyl)-4-(2,3-dichloro-4-ethylsulfonylphenyl)-1,3-thiazole has a molecular weight of 432.78 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(2,3-dichloro-4-ethylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 4303837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).