5-[5-(benzenesulfonylmethyl)furan-2-yl]-3-(2-chlorophenyl)-1,2,4-oxadiazole

C19H13ClN2O4S — CID 53076973

IUPAC5-[5-(benzenesulfonylmethyl)furan-2-yl]-3-(2-chlorophenyl)-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1ccc(-c2nc(-c3ccccc3Cl)no2)o1)c1ccccc1
InChIInChI=1S/C19H13ClN2O4S/c20-16-9-5-4-8-15(16)18-21-19(26-22-18)17-11-10-13(25-17)12-27(23,24)14-6-2-1-3-7-14/h1-11H,12H2
InChIKeyWNMAIWBUYIOJCR-UHFFFAOYSA-N
MW400.84 g/mol
LogP4.62
Rot. Bonds5

About 5-[5-(benzenesulfonylmethyl)furan-2-yl]-3-(2-chlorophenyl)-1,2,4-oxadiazole

5-[5-(benzenesulfonylmethyl)furan-2-yl]-3-(2-chlorophenyl)-1,2,4-oxadiazole (PubChem CID 53076973) has the molecular formula C19H13ClN2O4S and a molecular weight of 400.84 g/mol. Its IUPAC name is 5-[5-(benzenesulfonylmethyl)furan-2-yl]-3-(2-chlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-(benzenesulfonylmethyl)furan-2-yl]-3-(2-chlorophenyl)-1,2,4-oxadiazole
PubChem CID53076973
Molecular FormulaC19H13ClN2O4S
Molecular Weight400.84 g/mol
Exact Mass400.03
IUPAC Name5-[5-(benzenesulfonylmethyl)furan-2-yl]-3-(2-chlorophenyl)-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1ccc(-c2nc(-c3ccccc3Cl)no2)o1)c1ccccc1
InChIInChI=1S/C19H13ClN2O4S/c20-16-9-5-4-8-15(16)18-21-19(26-22-18)17-11-10-13(25-17)12-27(23,24)14-6-2-1-3-7-14/h1-11H,12H2
InChIKeyWNMAIWBUYIOJCR-UHFFFAOYSA-N
XLogP4.62
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(benzenesulfonylmethyl)furan-2-yl]-3-(2-chlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[5-(benzenesulfonylmethyl)furan-2-yl]-3-(2-chlorophenyl)-1,2,4-oxadiazole (CID 53076973) is 5-[5-(benzenesulfonylmethyl)furan-2-yl]-3-(2-chlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-(benzenesulfonylmethyl)furan-2-yl]-3-(2-chlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-(benzenesulfonylmethyl)furan-2-yl]-3-(2-chlorophenyl)-1,2,4-oxadiazole is O=S(=O)(Cc1ccc(-c2nc(-c3ccccc3Cl)no2)o1)c1ccccc1.
What is the InChIKey of 5-[5-(benzenesulfonylmethyl)furan-2-yl]-3-(2-chlorophenyl)-1,2,4-oxadiazole?
The InChIKey is WNMAIWBUYIOJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O4S/c20-16-9-5-4-8-15(16)18-21-19(26-22-18)17-11-10-13(25-17)12-27(23,24)14-6-2-1-3-7-14/h1-11H,12H2.
What are the key properties of 5-[5-(benzenesulfonylmethyl)furan-2-yl]-3-(2-chlorophenyl)-1,2,4-oxadiazole?
5-[5-(benzenesulfonylmethyl)furan-2-yl]-3-(2-chlorophenyl)-1,2,4-oxadiazole has a molecular weight of 400.84 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(benzenesulfonylmethyl)furan-2-yl]-3-(2-chlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53076973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).