7-bromo-1-chloroisoquinoline-5-sulfonamide

C9H6BrClN2O2S — CID 156572307

IUPAC7-bromo-1-chloroisoquinoline-5-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc2c(Cl)nccc12
InChIInChI=1S/C9H6BrClN2O2S/c10-5-3-7-6(1-2-13-9(7)11)8(4-5)16(12,14)15/h1-4H,(H2,12,14,15)
InChIKeyXYJIYXZLZVYJAL-UHFFFAOYSA-N
MW321.58 g/mol
LogP2.30
Rot. Bonds1

About 7-bromo-1-chloroisoquinoline-5-sulfonamide

7-bromo-1-chloroisoquinoline-5-sulfonamide (PubChem CID 156572307) has the molecular formula C9H6BrClN2O2S and a molecular weight of 321.58 g/mol. Its IUPAC name is 7-bromo-1-chloroisoquinoline-5-sulfonamide.

Molecular Properties

Compound Name7-bromo-1-chloroisoquinoline-5-sulfonamide
PubChem CID156572307
Molecular FormulaC9H6BrClN2O2S
Molecular Weight321.58 g/mol
Exact Mass319.90
IUPAC Name7-bromo-1-chloroisoquinoline-5-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc2c(Cl)nccc12
InChIInChI=1S/C9H6BrClN2O2S/c10-5-3-7-6(1-2-13-9(7)11)8(4-5)16(12,14)15/h1-4H,(H2,12,14,15)
InChIKeyXYJIYXZLZVYJAL-UHFFFAOYSA-N
XLogP2.30
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.58
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-bromo-1-chloroisoquinoline-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-chloroisoquinoline-5-sulfonamide?
The IUPAC name of 7-bromo-1-chloroisoquinoline-5-sulfonamide (CID 156572307) is 7-bromo-1-chloroisoquinoline-5-sulfonamide.
What is the SMILES notation for 7-bromo-1-chloroisoquinoline-5-sulfonamide?
The canonical SMILES for 7-bromo-1-chloroisoquinoline-5-sulfonamide is NS(=O)(=O)c1cc(Br)cc2c(Cl)nccc12.
What is the InChIKey of 7-bromo-1-chloroisoquinoline-5-sulfonamide?
The InChIKey is XYJIYXZLZVYJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O2S/c10-5-3-7-6(1-2-13-9(7)11)8(4-5)16(12,14)15/h1-4H,(H2,12,14,15).
What are the key properties of 7-bromo-1-chloroisoquinoline-5-sulfonamide?
7-bromo-1-chloroisoquinoline-5-sulfonamide has a molecular weight of 321.58 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-chloroisoquinoline-5-sulfonamide is sourced from PubChem (CID 156572307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).