5-(benzenesulfonylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole

C15H11ClN2O3S — CID 30849847

IUPAC5-(benzenesulfonylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1nc(-c2cccc(Cl)c2)no1)c1ccccc1
InChIInChI=1S/C15H11ClN2O3S/c16-12-6-4-5-11(9-12)15-17-14(21-18-15)10-22(19,20)13-7-2-1-3-8-13/h1-9H,10H2
InChIKeyGRQJNCQZMLCWMW-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.36
Rot. Bonds4

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

5-(benzenesulfonylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole (PubChem CID 30849847) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
PubChem CID30849847
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC Name5-(benzenesulfonylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1nc(-c2cccc(Cl)c2)no1)c1ccccc1
InChIInChI=1S/C15H11ClN2O3S/c16-12-6-4-5-11(9-12)15-17-14(21-18-15)10-22(19,20)13-7-2-1-3-8-13/h1-9H,10H2
InChIKeyGRQJNCQZMLCWMW-UHFFFAOYSA-N
XLogP3.36
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(benzenesulfonylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole (CID 30849847) is 5-(benzenesulfonylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(benzenesulfonylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole is O=S(=O)(Cc1nc(-c2cccc(Cl)c2)no1)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole?
The InChIKey is GRQJNCQZMLCWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c16-12-6-4-5-11(9-12)15-17-14(21-18-15)10-22(19,20)13-7-2-1-3-8-13/h1-9H,10H2.
What are the key properties of 5-(benzenesulfonylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole?
5-(benzenesulfonylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole has a molecular weight of 334.78 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 30849847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).