1,1-dioxo-2,3-dihydro-1-benzothiophene-6-sulfonamide

C8H9NO4S2 — CID 10198795

IUPAC1,1-dioxo-2,3-dihydro-1-benzothiophene-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2
InChIInChI=1S/C8H9NO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-2,5H,3-4H2,(H2,9,12,13)
InChIKeyOTANTTWNYRHXMB-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.34
Rot. Bonds1

About 1,1-dioxo-2,3-dihydro-1-benzothiophene-6-sulfonamide

1,1-dioxo-2,3-dihydro-1-benzothiophene-6-sulfonamide (PubChem CID 10198795) has the molecular formula C8H9NO4S2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1,1-dioxo-2,3-dihydro-1-benzothiophene-6-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-2,3-dihydro-1-benzothiophene-6-sulfonamide
PubChem CID10198795
Molecular FormulaC8H9NO4S2
Molecular Weight247.30 g/mol
Exact Mass247.00
IUPAC Name1,1-dioxo-2,3-dihydro-1-benzothiophene-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2
InChIInChI=1S/C8H9NO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-2,5H,3-4H2,(H2,9,12,13)
InChIKeyOTANTTWNYRHXMB-UHFFFAOYSA-N
XLogP-0.34
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2,3-dihydro-1-benzothiophene-6-sulfonamide?
The IUPAC name of 1,1-dioxo-2,3-dihydro-1-benzothiophene-6-sulfonamide (CID 10198795) is 1,1-dioxo-2,3-dihydro-1-benzothiophene-6-sulfonamide.
What is the SMILES notation for 1,1-dioxo-2,3-dihydro-1-benzothiophene-6-sulfonamide?
The canonical SMILES for 1,1-dioxo-2,3-dihydro-1-benzothiophene-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2.
What is the InChIKey of 1,1-dioxo-2,3-dihydro-1-benzothiophene-6-sulfonamide?
The InChIKey is OTANTTWNYRHXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-2,5H,3-4H2,(H2,9,12,13).
What are the key properties of 1,1-dioxo-2,3-dihydro-1-benzothiophene-6-sulfonamide?
1,1-dioxo-2,3-dihydro-1-benzothiophene-6-sulfonamide has a molecular weight of 247.30 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2,3-dihydro-1-benzothiophene-6-sulfonamide is sourced from PubChem (CID 10198795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).