1-oxo-2H-isoquinoline-3-sulfonamide

C9H8N2O3S — CID 54290067

IUPAC1-oxo-2H-isoquinoline-3-sulfonamide
SMILESNS(=O)(=O)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C9H8N2O3S/c10-15(13,14)8-5-6-3-1-2-4-7(6)9(12)11-8/h1-5H,(H,11,12)(H2,10,13,14)
InChIKeyRWWMTCPCOKDSAU-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.18
Rot. Bonds1

About 1-oxo-2H-isoquinoline-3-sulfonamide

1-oxo-2H-isoquinoline-3-sulfonamide (PubChem CID 54290067) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 1-oxo-2H-isoquinoline-3-sulfonamide.

Molecular Properties

Compound Name1-oxo-2H-isoquinoline-3-sulfonamide
PubChem CID54290067
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name1-oxo-2H-isoquinoline-3-sulfonamide
SMILESNS(=O)(=O)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C9H8N2O3S/c10-15(13,14)8-5-6-3-1-2-4-7(6)9(12)11-8/h1-5H,(H,11,12)(H2,10,13,14)
InChIKeyRWWMTCPCOKDSAU-UHFFFAOYSA-N
XLogP0.18
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-2H-isoquinoline-3-sulfonamide?
The IUPAC name of 1-oxo-2H-isoquinoline-3-sulfonamide (CID 54290067) is 1-oxo-2H-isoquinoline-3-sulfonamide.
What is the SMILES notation for 1-oxo-2H-isoquinoline-3-sulfonamide?
The canonical SMILES for 1-oxo-2H-isoquinoline-3-sulfonamide is NS(=O)(=O)c1cc2ccccc2c(=O)[nH]1.
What is the InChIKey of 1-oxo-2H-isoquinoline-3-sulfonamide?
The InChIKey is RWWMTCPCOKDSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c10-15(13,14)8-5-6-3-1-2-4-7(6)9(12)11-8/h1-5H,(H,11,12)(H2,10,13,14).
What are the key properties of 1-oxo-2H-isoquinoline-3-sulfonamide?
1-oxo-2H-isoquinoline-3-sulfonamide has a molecular weight of 224.24 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-2H-isoquinoline-3-sulfonamide is sourced from PubChem (CID 54290067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).