5-[(5-chlorothiophen-2-yl)sulfonylmethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole

C14H11ClN2O3S2 — CID 30849090

IUPAC5-[(5-chlorothiophen-2-yl)sulfonylmethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(CS(=O)(=O)c3ccc(Cl)s3)n2)c1
InChIInChI=1S/C14H11ClN2O3S2/c1-9-3-2-4-10(7-9)14-16-12(20-17-14)8-22(18,19)13-6-5-11(15)21-13/h2-7H,8H2,1H3
InChIKeyVZRJROOSHLMFLY-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.73
Rot. Bonds4

About 5-[(5-chlorothiophen-2-yl)sulfonylmethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole

5-[(5-chlorothiophen-2-yl)sulfonylmethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 30849090) has the molecular formula C14H11ClN2O3S2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 5-[(5-chlorothiophen-2-yl)sulfonylmethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(5-chlorothiophen-2-yl)sulfonylmethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID30849090
Molecular FormulaC14H11ClN2O3S2
Molecular Weight354.84 g/mol
Exact Mass353.99
IUPAC Name5-[(5-chlorothiophen-2-yl)sulfonylmethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(CS(=O)(=O)c3ccc(Cl)s3)n2)c1
InChIInChI=1S/C14H11ClN2O3S2/c1-9-3-2-4-10(7-9)14-16-12(20-17-14)8-22(18,19)13-6-5-11(15)21-13/h2-7H,8H2,1H3
InChIKeyVZRJROOSHLMFLY-UHFFFAOYSA-N
XLogP3.73
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chlorothiophen-2-yl)sulfonylmethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(5-chlorothiophen-2-yl)sulfonylmethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 30849090) is 5-[(5-chlorothiophen-2-yl)sulfonylmethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(5-chlorothiophen-2-yl)sulfonylmethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(5-chlorothiophen-2-yl)sulfonylmethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is Cc1cccc(-c2noc(CS(=O)(=O)c3ccc(Cl)s3)n2)c1.
What is the InChIKey of 5-[(5-chlorothiophen-2-yl)sulfonylmethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is VZRJROOSHLMFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S2/c1-9-3-2-4-10(7-9)14-16-12(20-17-14)8-22(18,19)13-6-5-11(15)21-13/h2-7H,8H2,1H3.
What are the key properties of 5-[(5-chlorothiophen-2-yl)sulfonylmethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-[(5-chlorothiophen-2-yl)sulfonylmethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 354.84 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chlorothiophen-2-yl)sulfonylmethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 30849090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).