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

C15H12N2O3S — CID 30849053

IUPAC5-(benzenesulfonylmethyl)-3-phenyl-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1nc(-c2ccccc2)no1)c1ccccc1
InChIInChI=1S/C15H12N2O3S/c18-21(19,13-9-5-2-6-10-13)11-14-16-15(17-20-14)12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyDWTYJEBSDUZORS-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.71
Rot. Bonds4

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

5-(benzenesulfonylmethyl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 30849053) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-3-phenyl-1,2,4-oxadiazole
PubChem CID30849053
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name5-(benzenesulfonylmethyl)-3-phenyl-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1nc(-c2ccccc2)no1)c1ccccc1
InChIInChI=1S/C15H12N2O3S/c18-21(19,13-9-5-2-6-10-13)11-14-16-15(17-20-14)12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyDWTYJEBSDUZORS-UHFFFAOYSA-N
XLogP2.71
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(benzenesulfonylmethyl)-3-phenyl-1,2,4-oxadiazole (CID 30849053) is 5-(benzenesulfonylmethyl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(benzenesulfonylmethyl)-3-phenyl-1,2,4-oxadiazole is O=S(=O)(Cc1nc(-c2ccccc2)no1)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is DWTYJEBSDUZORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c18-21(19,13-9-5-2-6-10-13)11-14-16-15(17-20-14)12-7-3-1-4-8-12/h1-10H,11H2.
What are the key properties of 5-(benzenesulfonylmethyl)-3-phenyl-1,2,4-oxadiazole?
5-(benzenesulfonylmethyl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 300.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 30849053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).