5-(2-chlorophenyl)-3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazole

C14H10ClN3O3S — CID 2819291

IUPAC5-(2-chlorophenyl)-3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1noc(-c2ccccc2Cl)n1)c1ccccn1
InChIInChI=1S/C14H10ClN3O3S/c15-11-6-2-1-5-10(11)14-17-12(18-21-14)9-22(19,20)13-7-3-4-8-16-13/h1-8H,9H2
InChIKeyUKPWGOHVMCYMSP-UHFFFAOYSA-N
MW335.77 g/mol
LogP2.76
Rot. Bonds4

About 5-(2-chlorophenyl)-3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazole

5-(2-chlorophenyl)-3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazole (PubChem CID 2819291) has the molecular formula C14H10ClN3O3S and a molecular weight of 335.77 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazole
PubChem CID2819291
Molecular FormulaC14H10ClN3O3S
Molecular Weight335.77 g/mol
Exact Mass335.01
IUPAC Name5-(2-chlorophenyl)-3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1noc(-c2ccccc2Cl)n1)c1ccccn1
InChIInChI=1S/C14H10ClN3O3S/c15-11-6-2-1-5-10(11)14-17-12(18-21-14)9-22(19,20)13-7-3-4-8-16-13/h1-8H,9H2
InChIKeyUKPWGOHVMCYMSP-UHFFFAOYSA-N
XLogP2.76
TPSA85.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chlorophenyl)-3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazole (CID 2819291) is 5-(2-chlorophenyl)-3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chlorophenyl)-3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chlorophenyl)-3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazole is O=S(=O)(Cc1noc(-c2ccccc2Cl)n1)c1ccccn1.
What is the InChIKey of 5-(2-chlorophenyl)-3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazole?
The InChIKey is UKPWGOHVMCYMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3S/c15-11-6-2-1-5-10(11)14-17-12(18-21-14)9-22(19,20)13-7-3-4-8-16-13/h1-8H,9H2.
What are the key properties of 5-(2-chlorophenyl)-3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazole?
5-(2-chlorophenyl)-3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazole has a molecular weight of 335.77 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2819291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).