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

C13H9ClN2O3S2 — CID 2740441

IUPAC5-[(4-chlorophenyl)sulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1nc(-c2ccsc2)no1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN2O3S2/c14-10-1-3-11(4-2-10)21(17,18)8-12-15-13(16-19-12)9-5-6-20-7-9/h1-7H,8H2
InChIKeyHMQMMFPHDYRUAQ-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.43
Rot. Bonds4

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

5-[(4-chlorophenyl)sulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 2740441) has the molecular formula C13H9ClN2O3S2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)sulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-chlorophenyl)sulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID2740441
Molecular FormulaC13H9ClN2O3S2
Molecular Weight340.81 g/mol
Exact Mass339.97
IUPAC Name5-[(4-chlorophenyl)sulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1nc(-c2ccsc2)no1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN2O3S2/c14-10-1-3-11(4-2-10)21(17,18)8-12-15-13(16-19-12)9-5-6-20-7-9/h1-7H,8H2
InChIKeyHMQMMFPHDYRUAQ-UHFFFAOYSA-N
XLogP3.43
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)sulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-chlorophenyl)sulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole (CID 2740441) is 5-[(4-chlorophenyl)sulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-chlorophenyl)sulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-chlorophenyl)sulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole is O=S(=O)(Cc1nc(-c2ccsc2)no1)c1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)sulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is HMQMMFPHDYRUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3S2/c14-10-1-3-11(4-2-10)21(17,18)8-12-15-13(16-19-12)9-5-6-20-7-9/h1-7H,8H2.
What are the key properties of 5-[(4-chlorophenyl)sulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
5-[(4-chlorophenyl)sulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 340.81 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)sulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2740441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).