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

C12H11N3O3S2 — CID 75478741

IUPAC2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-3-sulfonamide
SMILESCc1nonc1NS(=O)(=O)c1c(C)sc2ccccc12
InChIInChI=1S/C12H11N3O3S2/c1-7-12(14-18-13-7)15-20(16,17)11-8(2)19-10-6-4-3-5-9(10)11/h3-6H,1-2H3,(H,14,15)
InChIKeyQOCKXFONJMNINR-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.70
Rot. Bonds3

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

2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-3-sulfonamide (PubChem CID 75478741) has the molecular formula C12H11N3O3S2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-3-sulfonamide
PubChem CID75478741
Molecular FormulaC12H11N3O3S2
Molecular Weight309.37 g/mol
Exact Mass309.02
IUPAC Name2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-3-sulfonamide
SMILESCc1nonc1NS(=O)(=O)c1c(C)sc2ccccc12
InChIInChI=1S/C12H11N3O3S2/c1-7-12(14-18-13-7)15-20(16,17)11-8(2)19-10-6-4-3-5-9(10)11/h3-6H,1-2H3,(H,14,15)
InChIKeyQOCKXFONJMNINR-UHFFFAOYSA-N
XLogP2.70
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dimethyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 86796055
5-chloro-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-2-sulfonamide
CID 91650678

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-3-sulfonamide?
The IUPAC name of 2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-3-sulfonamide (CID 75478741) is 2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-3-sulfonamide is Cc1nonc1NS(=O)(=O)c1c(C)sc2ccccc12.
What is the InChIKey of 2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-3-sulfonamide?
The InChIKey is QOCKXFONJMNINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S2/c1-7-12(14-18-13-7)15-20(16,17)11-8(2)19-10-6-4-3-5-9(10)11/h3-6H,1-2H3,(H,14,15).
What are the key properties of 2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-3-sulfonamide?
2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-3-sulfonamide has a molecular weight of 309.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 75478741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).