6-(methoxymethyl)-2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophene-7-sulfonamide

C11H15NO5S2 — CID 14255705

IUPAC6-(methoxymethyl)-2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophene-7-sulfonamide
SMILESCOCc1ccc2c(c1S(N)(=O)=O)S(=O)(=O)C(C)C2
InChIInChI=1S/C11H15NO5S2/c1-7-5-8-3-4-9(6-17-2)11(19(12,15)16)10(8)18(7,13)14/h3-4,7H,5-6H2,1-2H3,(H2,12,15,16)
InChIKeyBVSLLBYZLJTBJV-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.20
Rot. Bonds3

About 6-(methoxymethyl)-2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophene-7-sulfonamide

6-(methoxymethyl)-2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophene-7-sulfonamide (PubChem CID 14255705) has the molecular formula C11H15NO5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophene-7-sulfonamide.

Molecular Properties

Compound Name6-(methoxymethyl)-2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophene-7-sulfonamide
PubChem CID14255705
Molecular FormulaC11H15NO5S2
Molecular Weight305.38 g/mol
Exact Mass305.04
IUPAC Name6-(methoxymethyl)-2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophene-7-sulfonamide
SMILESCOCc1ccc2c(c1S(N)(=O)=O)S(=O)(=O)C(C)C2
InChIInChI=1S/C11H15NO5S2/c1-7-5-8-3-4-9(6-17-2)11(19(12,15)16)10(8)18(7,13)14/h3-4,7H,5-6H2,1-2H3,(H2,12,15,16)
InChIKeyBVSLLBYZLJTBJV-UHFFFAOYSA-N
XLogP0.20
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophene-7-sulfonamide?
The IUPAC name of 6-(methoxymethyl)-2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophene-7-sulfonamide (CID 14255705) is 6-(methoxymethyl)-2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophene-7-sulfonamide.
What is the SMILES notation for 6-(methoxymethyl)-2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophene-7-sulfonamide?
The canonical SMILES for 6-(methoxymethyl)-2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophene-7-sulfonamide is COCc1ccc2c(c1S(N)(=O)=O)S(=O)(=O)C(C)C2.
What is the InChIKey of 6-(methoxymethyl)-2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophene-7-sulfonamide?
The InChIKey is BVSLLBYZLJTBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S2/c1-7-5-8-3-4-9(6-17-2)11(19(12,15)16)10(8)18(7,13)14/h3-4,7H,5-6H2,1-2H3,(H2,12,15,16).
What are the key properties of 6-(methoxymethyl)-2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophene-7-sulfonamide?
6-(methoxymethyl)-2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophene-7-sulfonamide has a molecular weight of 305.38 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophene-7-sulfonamide is sourced from PubChem (CID 14255705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).