4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-(2-methoxyethylsulfonyl)-1,3-thiazole

C18H15ClFNO5S3 — CID 167344371

IUPAC4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-(2-methoxyethylsulfonyl)-1,3-thiazole
SMILESCOCCS(=O)(=O)c1sc(-c2cccc(F)c2)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClFNO5S3/c1-26-9-10-28(22,23)18-17(29(24,25)15-7-5-13(19)6-8-15)21-16(27-18)12-3-2-4-14(20)11-12/h2-8,11H,9-10H2,1H3
InChIKeyCHULZCFKQIOLAK-UHFFFAOYSA-N
MW475.97 g/mol
LogP3.86
Rot. Bonds7

About 4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-(2-methoxyethylsulfonyl)-1,3-thiazole

4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-(2-methoxyethylsulfonyl)-1,3-thiazole (PubChem CID 167344371) has the molecular formula C18H15ClFNO5S3 and a molecular weight of 475.97 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-(2-methoxyethylsulfonyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-(2-methoxyethylsulfonyl)-1,3-thiazole
PubChem CID167344371
Molecular FormulaC18H15ClFNO5S3
Molecular Weight475.97 g/mol
Exact Mass474.98
IUPAC Name4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-(2-methoxyethylsulfonyl)-1,3-thiazole
SMILESCOCCS(=O)(=O)c1sc(-c2cccc(F)c2)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClFNO5S3/c1-26-9-10-28(22,23)18-17(29(24,25)15-7-5-13(19)6-8-15)21-16(27-18)12-3-2-4-14(20)11-12/h2-8,11H,9-10H2,1H3
InChIKeyCHULZCFKQIOLAK-UHFFFAOYSA-N
XLogP3.86
TPSA90.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.97
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-(2-methoxyethylsulfonyl)-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-(2-methoxyethylsulfonyl)-1,3-thiazole (CID 167344371) is 4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-(2-methoxyethylsulfonyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-(2-methoxyethylsulfonyl)-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-(2-methoxyethylsulfonyl)-1,3-thiazole is COCCS(=O)(=O)c1sc(-c2cccc(F)c2)nc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-(2-methoxyethylsulfonyl)-1,3-thiazole?
The InChIKey is CHULZCFKQIOLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO5S3/c1-26-9-10-28(22,23)18-17(29(24,25)15-7-5-13(19)6-8-15)21-16(27-18)12-3-2-4-14(20)11-12/h2-8,11H,9-10H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-(2-methoxyethylsulfonyl)-1,3-thiazole?
4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-(2-methoxyethylsulfonyl)-1,3-thiazole has a molecular weight of 475.97 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-(2-methoxyethylsulfonyl)-1,3-thiazole is sourced from PubChem (CID 167344371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).