2-chloro-N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-4-methylbenzenesulfonamide

C15H11Cl2N3O3S — CID 119050347

IUPAC2-chloro-N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2noc(-c3ccccc3Cl)n2)c(Cl)c1
InChIInChI=1S/C15H11Cl2N3O3S/c1-9-6-7-13(12(17)8-9)24(21,22)20-15-18-14(23-19-15)10-4-2-3-5-11(10)16/h2-8H,1H3,(H,19,20)
InChIKeyHEYPIDBFOHAYBX-UHFFFAOYSA-N
MW384.24 g/mol
LogP4.15
Rot. Bonds4

About 2-chloro-N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-4-methylbenzenesulfonamide

2-chloro-N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-4-methylbenzenesulfonamide (PubChem CID 119050347) has the molecular formula C15H11Cl2N3O3S and a molecular weight of 384.24 g/mol. Its IUPAC name is 2-chloro-N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-4-methylbenzenesulfonamide
PubChem CID119050347
Molecular FormulaC15H11Cl2N3O3S
Molecular Weight384.24 g/mol
Exact Mass382.99
IUPAC Name2-chloro-N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2noc(-c3ccccc3Cl)n2)c(Cl)c1
InChIInChI=1S/C15H11Cl2N3O3S/c1-9-6-7-13(12(17)8-9)24(21,22)20-15-18-14(23-19-15)10-4-2-3-5-11(10)16/h2-8H,1H3,(H,19,20)
InChIKeyHEYPIDBFOHAYBX-UHFFFAOYSA-N
XLogP4.15
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-4-methylbenzenesulfonamide (CID 119050347) is 2-chloro-N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2noc(-c3ccccc3Cl)n2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is HEYPIDBFOHAYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3S/c1-9-6-7-13(12(17)8-9)24(21,22)20-15-18-14(23-19-15)10-4-2-3-5-11(10)16/h2-8H,1H3,(H,19,20).
What are the key properties of 2-chloro-N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-4-methylbenzenesulfonamide?
2-chloro-N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 384.24 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 119050347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).