1-oxo-2H-isoquinoline-6-sulfonamide;hydrochloride

C9H9ClN2O3S — CID 162122522

IUPAC1-oxo-2H-isoquinoline-6-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc2c(=O)[nH]ccc2c1
InChIInChI=1S/C9H8N2O3S.ClH/c10-15(13,14)7-1-2-8-6(5-7)3-4-11-9(8)12;/h1-5H,(H,11,12)(H2,10,13,14);1H
InChIKeyZHPHQXVPFPNCMY-UHFFFAOYSA-N
MW260.70 g/mol
LogP0.60
Rot. Bonds1

About 1-oxo-2H-isoquinoline-6-sulfonamide;hydrochloride

1-oxo-2H-isoquinoline-6-sulfonamide;hydrochloride (PubChem CID 162122522) has the molecular formula C9H9ClN2O3S and a molecular weight of 260.70 g/mol. Its IUPAC name is 1-oxo-2H-isoquinoline-6-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-oxo-2H-isoquinoline-6-sulfonamide;hydrochloride
PubChem CID162122522
Molecular FormulaC9H9ClN2O3S
Molecular Weight260.70 g/mol
Exact Mass260.00
IUPAC Name1-oxo-2H-isoquinoline-6-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc2c(=O)[nH]ccc2c1
InChIInChI=1S/C9H8N2O3S.ClH/c10-15(13,14)7-1-2-8-6(5-7)3-4-11-9(8)12;/h1-5H,(H,11,12)(H2,10,13,14);1H
InChIKeyZHPHQXVPFPNCMY-UHFFFAOYSA-N
XLogP0.60
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 50.60
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-6-sulfonamide;hydrochloride?
The IUPAC name of 1-oxo-2H-isoquinoline-6-sulfonamide;hydrochloride (CID 162122522) is 1-oxo-2H-isoquinoline-6-sulfonamide;hydrochloride.
What is the SMILES notation for 1-oxo-2H-isoquinoline-6-sulfonamide;hydrochloride?
The canonical SMILES for 1-oxo-2H-isoquinoline-6-sulfonamide;hydrochloride is Cl.NS(=O)(=O)c1ccc2c(=O)[nH]ccc2c1.
What is the InChIKey of 1-oxo-2H-isoquinoline-6-sulfonamide;hydrochloride?
The InChIKey is ZHPHQXVPFPNCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S.ClH/c10-15(13,14)7-1-2-8-6(5-7)3-4-11-9(8)12;/h1-5H,(H,11,12)(H2,10,13,14);1H.
What are the key properties of 1-oxo-2H-isoquinoline-6-sulfonamide;hydrochloride?
1-oxo-2H-isoquinoline-6-sulfonamide;hydrochloride has a molecular weight of 260.70 g/mol, XLogP of 0.60, 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-6-sulfonamide;hydrochloride is sourced from PubChem (CID 162122522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).