1-benzothiophene-3-sulfonamide

C8H7NO2S2 — CID 13178324

IUPAC1-benzothiophene-3-sulfonamide
SMILESNS(=O)(=O)c1csc2ccccc12
InChIInChI=1S/C8H7NO2S2/c9-13(10,11)8-5-12-7-4-2-1-3-6(7)8/h1-5H,(H2,9,10,11)
InChIKeyBJVAENLIIOACPY-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds1

About 1-benzothiophene-3-sulfonamide

1-benzothiophene-3-sulfonamide (PubChem CID 13178324) has the molecular formula C8H7NO2S2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound Name1-benzothiophene-3-sulfonamide
PubChem CID13178324
Molecular FormulaC8H7NO2S2
Molecular Weight213.28 g/mol
Exact Mass212.99
IUPAC Name1-benzothiophene-3-sulfonamide
SMILESNS(=O)(=O)c1csc2ccccc12
InChIInChI=1S/C8H7NO2S2/c9-13(10,11)8-5-12-7-4-2-1-3-6(7)8/h1-5H,(H2,9,10,11)
InChIKeyBJVAENLIIOACPY-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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Related Compounds

Benzo(B)Thiophene
CID 7221
(1-Benzothiophen-3-yl)boronic acid
CID 2776344
1-Benzothiophene-2-Sulfonamide
CID 10680096
(E)-4-(2-(thiophen-3-yl)vinyl)benzenesulfonamide
CID 50908699
(E)-4-(2-(thiophen-2-yl)vinyl)benzenesulfonamide
CID 50908697
4-(1-Benzothiophen-2-yl)benzenesulfonamide
CID 127029023
5-Benzylsulfanylthiophene-2-sulfonamide
CID 134132835
4-[(4-Methylphenyl)sulfonyl]-2-thiophenesulfonamide
CID 14642289
4-(2-Phenyl-1-benzothiophen-3-yl)benzenesulfonamide
CID 44142500
5-[(4-Methylphenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 132819873
5-[(4-Fluorophenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 132819876
5-[(3-Phenylphenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 134147656

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene-3-sulfonamide?
The IUPAC name of 1-benzothiophene-3-sulfonamide (CID 13178324) is 1-benzothiophene-3-sulfonamide.
What is the SMILES notation for 1-benzothiophene-3-sulfonamide?
The canonical SMILES for 1-benzothiophene-3-sulfonamide is NS(=O)(=O)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophene-3-sulfonamide?
The InChIKey is BJVAENLIIOACPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S2/c9-13(10,11)8-5-12-7-4-2-1-3-6(7)8/h1-5H,(H2,9,10,11).
What are the key properties of 1-benzothiophene-3-sulfonamide?
1-benzothiophene-3-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-3-sulfonamide is sourced from PubChem (CID 13178324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).