5-chloro-2-[1-(2,6-dichlorophenyl)ethylsulfonyl]-1,3-thiazole

C11H8Cl3NO2S2 — CID 86215008

IUPAC5-chloro-2-[1-(2,6-dichlorophenyl)ethylsulfonyl]-1,3-thiazole
SMILESCC(c1c(Cl)cccc1Cl)S(=O)(=O)c1ncc(Cl)s1
InChIInChI=1S/C11H8Cl3NO2S2/c1-6(10-7(12)3-2-4-8(10)13)19(16,17)11-15-5-9(14)18-11/h2-6H,1H3
InChIKeyASJFSRQKPQIRCR-UHFFFAOYSA-N
MW356.68 g/mol
LogP4.64
Rot. Bonds3

About 5-chloro-2-[1-(2,6-dichlorophenyl)ethylsulfonyl]-1,3-thiazole

5-chloro-2-[1-(2,6-dichlorophenyl)ethylsulfonyl]-1,3-thiazole (PubChem CID 86215008) has the molecular formula C11H8Cl3NO2S2 and a molecular weight of 356.68 g/mol. Its IUPAC name is 5-chloro-2-[1-(2,6-dichlorophenyl)ethylsulfonyl]-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-[1-(2,6-dichlorophenyl)ethylsulfonyl]-1,3-thiazole
PubChem CID86215008
Molecular FormulaC11H8Cl3NO2S2
Molecular Weight356.68 g/mol
Exact Mass354.91
IUPAC Name5-chloro-2-[1-(2,6-dichlorophenyl)ethylsulfonyl]-1,3-thiazole
SMILESCC(c1c(Cl)cccc1Cl)S(=O)(=O)c1ncc(Cl)s1
InChIInChI=1S/C11H8Cl3NO2S2/c1-6(10-7(12)3-2-4-8(10)13)19(16,17)11-15-5-9(14)18-11/h2-6H,1H3
InChIKeyASJFSRQKPQIRCR-UHFFFAOYSA-N
XLogP4.64
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.68
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(2,6-dichlorophenyl)ethylsulfonyl]-1,3-thiazole?
The IUPAC name of 5-chloro-2-[1-(2,6-dichlorophenyl)ethylsulfonyl]-1,3-thiazole (CID 86215008) is 5-chloro-2-[1-(2,6-dichlorophenyl)ethylsulfonyl]-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-[1-(2,6-dichlorophenyl)ethylsulfonyl]-1,3-thiazole?
The canonical SMILES for 5-chloro-2-[1-(2,6-dichlorophenyl)ethylsulfonyl]-1,3-thiazole is CC(c1c(Cl)cccc1Cl)S(=O)(=O)c1ncc(Cl)s1.
What is the InChIKey of 5-chloro-2-[1-(2,6-dichlorophenyl)ethylsulfonyl]-1,3-thiazole?
The InChIKey is ASJFSRQKPQIRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3NO2S2/c1-6(10-7(12)3-2-4-8(10)13)19(16,17)11-15-5-9(14)18-11/h2-6H,1H3.
What are the key properties of 5-chloro-2-[1-(2,6-dichlorophenyl)ethylsulfonyl]-1,3-thiazole?
5-chloro-2-[1-(2,6-dichlorophenyl)ethylsulfonyl]-1,3-thiazole has a molecular weight of 356.68 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(2,6-dichlorophenyl)ethylsulfonyl]-1,3-thiazole is sourced from PubChem (CID 86215008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).