1,1-dioxo-1-benzothiophene-6-sulfonamide

C8H7NO4S2 — CID 10131078

IUPAC1,1-dioxo-1-benzothiophene-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)C=C2
InChIInChI=1S/C8H7NO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-5H,(H2,9,12,13)
InChIKeyRBZAVELWMBXTLS-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.09
Rot. Bonds1

About 1,1-dioxo-1-benzothiophene-6-sulfonamide

1,1-dioxo-1-benzothiophene-6-sulfonamide (PubChem CID 10131078) has the molecular formula C8H7NO4S2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1,1-dioxo-1-benzothiophene-6-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-1-benzothiophene-6-sulfonamide
PubChem CID10131078
Molecular FormulaC8H7NO4S2
Molecular Weight245.28 g/mol
Exact Mass244.98
IUPAC Name1,1-dioxo-1-benzothiophene-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)C=C2
InChIInChI=1S/C8H7NO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-5H,(H2,9,12,13)
InChIKeyRBZAVELWMBXTLS-UHFFFAOYSA-N
XLogP0.09
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-1-benzothiophene-6-sulfonamide?
The IUPAC name of 1,1-dioxo-1-benzothiophene-6-sulfonamide (CID 10131078) is 1,1-dioxo-1-benzothiophene-6-sulfonamide.
What is the SMILES notation for 1,1-dioxo-1-benzothiophene-6-sulfonamide?
The canonical SMILES for 1,1-dioxo-1-benzothiophene-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)C=C2.
What is the InChIKey of 1,1-dioxo-1-benzothiophene-6-sulfonamide?
The InChIKey is RBZAVELWMBXTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-5H,(H2,9,12,13).
What are the key properties of 1,1-dioxo-1-benzothiophene-6-sulfonamide?
1,1-dioxo-1-benzothiophene-6-sulfonamide has a molecular weight of 245.28 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-1-benzothiophene-6-sulfonamide is sourced from PubChem (CID 10131078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).