3-[(4-chlorophenyl)sulfonylmethyl]-5-(3,5-dichlorophenyl)-1,2,4-oxadiazole

C15H9Cl3N2O3S — CID 2743807

IUPAC3-[(4-chlorophenyl)sulfonylmethyl]-5-(3,5-dichlorophenyl)-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1noc(-c2cc(Cl)cc(Cl)c2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl3N2O3S/c16-10-1-3-13(4-2-10)24(21,22)8-14-19-15(23-20-14)9-5-11(17)7-12(18)6-9/h1-7H,8H2
InChIKeyUQQGEKIDJGELNA-UHFFFAOYSA-N
MW403.67 g/mol
LogP4.67
Rot. Bonds4

About 3-[(4-chlorophenyl)sulfonylmethyl]-5-(3,5-dichlorophenyl)-1,2,4-oxadiazole

3-[(4-chlorophenyl)sulfonylmethyl]-5-(3,5-dichlorophenyl)-1,2,4-oxadiazole (PubChem CID 2743807) has the molecular formula C15H9Cl3N2O3S and a molecular weight of 403.67 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylmethyl]-5-(3,5-dichlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylmethyl]-5-(3,5-dichlorophenyl)-1,2,4-oxadiazole
PubChem CID2743807
Molecular FormulaC15H9Cl3N2O3S
Molecular Weight403.67 g/mol
Exact Mass401.94
IUPAC Name3-[(4-chlorophenyl)sulfonylmethyl]-5-(3,5-dichlorophenyl)-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1noc(-c2cc(Cl)cc(Cl)c2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl3N2O3S/c16-10-1-3-13(4-2-10)24(21,22)8-14-19-15(23-20-14)9-5-11(17)7-12(18)6-9/h1-7H,8H2
InChIKeyUQQGEKIDJGELNA-UHFFFAOYSA-N
XLogP4.67
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.67
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylmethyl]-5-(3,5-dichlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylmethyl]-5-(3,5-dichlorophenyl)-1,2,4-oxadiazole (CID 2743807) is 3-[(4-chlorophenyl)sulfonylmethyl]-5-(3,5-dichlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylmethyl]-5-(3,5-dichlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylmethyl]-5-(3,5-dichlorophenyl)-1,2,4-oxadiazole is O=S(=O)(Cc1noc(-c2cc(Cl)cc(Cl)c2)n1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylmethyl]-5-(3,5-dichlorophenyl)-1,2,4-oxadiazole?
The InChIKey is UQQGEKIDJGELNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N2O3S/c16-10-1-3-13(4-2-10)24(21,22)8-14-19-15(23-20-14)9-5-11(17)7-12(18)6-9/h1-7H,8H2.
What are the key properties of 3-[(4-chlorophenyl)sulfonylmethyl]-5-(3,5-dichlorophenyl)-1,2,4-oxadiazole?
3-[(4-chlorophenyl)sulfonylmethyl]-5-(3,5-dichlorophenyl)-1,2,4-oxadiazole has a molecular weight of 403.67 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylmethyl]-5-(3,5-dichlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2743807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).