5-[(4-chlorophenyl)sulfonylmethyl]-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole

C15H8Cl2F3N3O3S — CID 110208738

IUPAC5-[(4-chlorophenyl)sulfonylmethyl]-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1nc(-c2ncc(C(F)(F)F)cc2Cl)no1)c1ccc(Cl)cc1
InChIInChI=1S/C15H8Cl2F3N3O3S/c16-9-1-3-10(4-2-9)27(24,25)7-12-22-14(23-26-12)13-11(17)5-8(6-21-13)15(18,19)20/h1-6H,7H2
InChIKeyYIUWCZKGQGTREQ-UHFFFAOYSA-N
MW438.21 g/mol
LogP4.43
Rot. Bonds4

About 5-[(4-chlorophenyl)sulfonylmethyl]-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole

5-[(4-chlorophenyl)sulfonylmethyl]-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole (PubChem CID 110208738) has the molecular formula C15H8Cl2F3N3O3S and a molecular weight of 438.21 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)sulfonylmethyl]-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-chlorophenyl)sulfonylmethyl]-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
PubChem CID110208738
Molecular FormulaC15H8Cl2F3N3O3S
Molecular Weight438.21 g/mol
Exact Mass436.96
IUPAC Name5-[(4-chlorophenyl)sulfonylmethyl]-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1nc(-c2ncc(C(F)(F)F)cc2Cl)no1)c1ccc(Cl)cc1
InChIInChI=1S/C15H8Cl2F3N3O3S/c16-9-1-3-10(4-2-9)27(24,25)7-12-22-14(23-26-12)13-11(17)5-8(6-21-13)15(18,19)20/h1-6H,7H2
InChIKeyYIUWCZKGQGTREQ-UHFFFAOYSA-N
XLogP4.43
TPSA85.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.21
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)sulfonylmethyl]-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-chlorophenyl)sulfonylmethyl]-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole (CID 110208738) is 5-[(4-chlorophenyl)sulfonylmethyl]-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-chlorophenyl)sulfonylmethyl]-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-chlorophenyl)sulfonylmethyl]-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole is O=S(=O)(Cc1nc(-c2ncc(C(F)(F)F)cc2Cl)no1)c1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)sulfonylmethyl]-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is YIUWCZKGQGTREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F3N3O3S/c16-9-1-3-10(4-2-9)27(24,25)7-12-22-14(23-26-12)13-11(17)5-8(6-21-13)15(18,19)20/h1-6H,7H2.
What are the key properties of 5-[(4-chlorophenyl)sulfonylmethyl]-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
5-[(4-chlorophenyl)sulfonylmethyl]-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 438.21 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)sulfonylmethyl]-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 110208738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).