5-chloro-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-2-sulfonamide

C11H8ClN3O3S2 — CID 91650678

IUPAC5-chloro-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-2-sulfonamide
SMILESCc1nonc1NS(=O)(=O)c1cc2cc(Cl)ccc2s1
InChIInChI=1S/C11H8ClN3O3S2/c1-6-11(14-18-13-6)15-20(16,17)10-5-7-4-8(12)2-3-9(7)19-10/h2-5H,1H3,(H,14,15)
InChIKeyQXOSWZXDSHMERY-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.05
Rot. Bonds3

About 5-chloro-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-2-sulfonamide

5-chloro-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-2-sulfonamide (PubChem CID 91650678) has the molecular formula C11H8ClN3O3S2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 5-chloro-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-2-sulfonamide
PubChem CID91650678
Molecular FormulaC11H8ClN3O3S2
Molecular Weight329.79 g/mol
Exact Mass328.97
IUPAC Name5-chloro-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-2-sulfonamide
SMILESCc1nonc1NS(=O)(=O)c1cc2cc(Cl)ccc2s1
InChIInChI=1S/C11H8ClN3O3S2/c1-6-11(14-18-13-6)15-20(16,17)10-5-7-4-8(12)2-3-9(7)19-10/h2-5H,1H3,(H,14,15)
InChIKeyQXOSWZXDSHMERY-UHFFFAOYSA-N
XLogP3.05
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-2-sulfonamide (CID 91650678) is 5-chloro-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-2-sulfonamide is Cc1nonc1NS(=O)(=O)c1cc2cc(Cl)ccc2s1.
What is the InChIKey of 5-chloro-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-2-sulfonamide?
The InChIKey is QXOSWZXDSHMERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3S2/c1-6-11(14-18-13-6)15-20(16,17)10-5-7-4-8(12)2-3-9(7)19-10/h2-5H,1H3,(H,14,15).
What are the key properties of 5-chloro-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-2-sulfonamide?
5-chloro-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-2-sulfonamide has a molecular weight of 329.79 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 91650678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).