4,7-dihydroxy-1-benzothiophene-2-sulfonamide

C8H7NO4S2 — CID 21283475

IUPAC4,7-dihydroxy-1-benzothiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc2c(O)ccc(O)c2s1
InChIInChI=1S/C8H7NO4S2/c9-15(12,13)7-3-4-5(10)1-2-6(11)8(4)14-7/h1-3,10-11H,(H2,9,12,13)
InChIKeyNPGUAIJZFKGKRQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.96
Rot. Bonds1

About 4,7-dihydroxy-1-benzothiophene-2-sulfonamide

4,7-dihydroxy-1-benzothiophene-2-sulfonamide (PubChem CID 21283475) has the molecular formula C8H7NO4S2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4,7-dihydroxy-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name4,7-dihydroxy-1-benzothiophene-2-sulfonamide
PubChem CID21283475
Molecular FormulaC8H7NO4S2
Molecular Weight245.28 g/mol
Exact Mass244.98
IUPAC Name4,7-dihydroxy-1-benzothiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc2c(O)ccc(O)c2s1
InChIInChI=1S/C8H7NO4S2/c9-15(12,13)7-3-4-5(10)1-2-6(11)8(4)14-7/h1-3,10-11H,(H2,9,12,13)
InChIKeyNPGUAIJZFKGKRQ-UHFFFAOYSA-N
XLogP0.96
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,7-dihydroxy-1-benzothiophene-2-sulfonamide?
The IUPAC name of 4,7-dihydroxy-1-benzothiophene-2-sulfonamide (CID 21283475) is 4,7-dihydroxy-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 4,7-dihydroxy-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 4,7-dihydroxy-1-benzothiophene-2-sulfonamide is NS(=O)(=O)c1cc2c(O)ccc(O)c2s1.
What is the InChIKey of 4,7-dihydroxy-1-benzothiophene-2-sulfonamide?
The InChIKey is NPGUAIJZFKGKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4S2/c9-15(12,13)7-3-4-5(10)1-2-6(11)8(4)14-7/h1-3,10-11H,(H2,9,12,13).
What are the key properties of 4,7-dihydroxy-1-benzothiophene-2-sulfonamide?
4,7-dihydroxy-1-benzothiophene-2-sulfonamide has a molecular weight of 245.28 g/mol, XLogP of 0.96, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydroxy-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 21283475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).