1-benzothiophene-2-sulfonamide

C8H7NO2S2 — CID 10680096

IUPAC1-benzothiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc2ccccc2s1
InChIInChI=1S/C8H7NO2S2/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,9,10,11)
InChIKeyUZMQSZBTFGHLAH-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds1

About 1-benzothiophene-2-sulfonamide

1-benzothiophene-2-sulfonamide (PubChem CID 10680096) has the molecular formula C8H7NO2S2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name1-benzothiophene-2-sulfonamide
PubChem CID10680096
Molecular FormulaC8H7NO2S2
Molecular Weight213.28 g/mol
Exact Mass212.99
IUPAC Name1-benzothiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc2ccccc2s1
InChIInChI=1S/C8H7NO2S2/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,9,10,11)
InChIKeyUZMQSZBTFGHLAH-UHFFFAOYSA-N
XLogP1.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene-2-sulfonamide?
The IUPAC name of 1-benzothiophene-2-sulfonamide (CID 10680096) is 1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 1-benzothiophene-2-sulfonamide?
The canonical SMILES for 1-benzothiophene-2-sulfonamide is NS(=O)(=O)c1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophene-2-sulfonamide?
The InChIKey is UZMQSZBTFGHLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S2/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,9,10,11).
What are the key properties of 1-benzothiophene-2-sulfonamide?
1-benzothiophene-2-sulfonamide has a molecular weight of 213.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 10680096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).