7-hydroxyisoquinoline-1-sulfonamide

C9H8N2O3S — CID 106541870

IUPAC7-hydroxyisoquinoline-1-sulfonamide
SMILESNS(=O)(=O)c1nccc2ccc(O)cc12
InChIInChI=1S/C9H8N2O3S/c10-15(13,14)9-8-5-7(12)2-1-6(8)3-4-11-9/h1-5,12H,(H2,10,13,14)
InChIKeyAWZOHSVZBUVFMC-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.59
Rot. Bonds1

About 7-hydroxyisoquinoline-1-sulfonamide

7-hydroxyisoquinoline-1-sulfonamide (PubChem CID 106541870) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 7-hydroxyisoquinoline-1-sulfonamide.

Molecular Properties

Compound Name7-hydroxyisoquinoline-1-sulfonamide
PubChem CID106541870
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name7-hydroxyisoquinoline-1-sulfonamide
SMILESNS(=O)(=O)c1nccc2ccc(O)cc12
InChIInChI=1S/C9H8N2O3S/c10-15(13,14)9-8-5-7(12)2-1-6(8)3-4-11-9/h1-5,12H,(H2,10,13,14)
InChIKeyAWZOHSVZBUVFMC-UHFFFAOYSA-N
XLogP0.59
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxyisoquinoline-1-sulfonamide?
The IUPAC name of 7-hydroxyisoquinoline-1-sulfonamide (CID 106541870) is 7-hydroxyisoquinoline-1-sulfonamide.
What is the SMILES notation for 7-hydroxyisoquinoline-1-sulfonamide?
The canonical SMILES for 7-hydroxyisoquinoline-1-sulfonamide is NS(=O)(=O)c1nccc2ccc(O)cc12.
What is the InChIKey of 7-hydroxyisoquinoline-1-sulfonamide?
The InChIKey is AWZOHSVZBUVFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c10-15(13,14)9-8-5-7(12)2-1-6(8)3-4-11-9/h1-5,12H,(H2,10,13,14).
What are the key properties of 7-hydroxyisoquinoline-1-sulfonamide?
7-hydroxyisoquinoline-1-sulfonamide has a molecular weight of 224.24 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxyisoquinoline-1-sulfonamide is sourced from PubChem (CID 106541870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).