5-chloro-2-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole

C10H7Cl2NO2S2 — CID 86214969

IUPAC5-chloro-2-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole
SMILESO=S(=O)(Cc1ccccc1Cl)c1ncc(Cl)s1
InChIInChI=1S/C10H7Cl2NO2S2/c11-8-4-2-1-3-7(8)6-17(14,15)10-13-5-9(12)16-10/h1-5H,6H2
InChIKeyWZBXLZUQBBRCGW-UHFFFAOYSA-N
MW308.21 g/mol
LogP3.42
Rot. Bonds3

About 5-chloro-2-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole

5-chloro-2-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole (PubChem CID 86214969) has the molecular formula C10H7Cl2NO2S2 and a molecular weight of 308.21 g/mol. Its IUPAC name is 5-chloro-2-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole
PubChem CID86214969
Molecular FormulaC10H7Cl2NO2S2
Molecular Weight308.21 g/mol
Exact Mass306.93
IUPAC Name5-chloro-2-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole
SMILESO=S(=O)(Cc1ccccc1Cl)c1ncc(Cl)s1
InChIInChI=1S/C10H7Cl2NO2S2/c11-8-4-2-1-3-7(8)6-17(14,15)10-13-5-9(12)16-10/h1-5H,6H2
InChIKeyWZBXLZUQBBRCGW-UHFFFAOYSA-N
XLogP3.42
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole?
The IUPAC name of 5-chloro-2-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole (CID 86214969) is 5-chloro-2-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole?
The canonical SMILES for 5-chloro-2-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole is O=S(=O)(Cc1ccccc1Cl)c1ncc(Cl)s1.
What is the InChIKey of 5-chloro-2-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole?
The InChIKey is WZBXLZUQBBRCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2S2/c11-8-4-2-1-3-7(8)6-17(14,15)10-13-5-9(12)16-10/h1-5H,6H2.
What are the key properties of 5-chloro-2-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole?
5-chloro-2-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole has a molecular weight of 308.21 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-chlorophenyl)methylsulfonyl]-1,3-thiazole is sourced from PubChem (CID 86214969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).