5-bromo-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C9H11BrN2O2S — CID 128958622

IUPAC5-bromo-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESNS(=O)(=O)N1CCc2c(Br)cccc2C1
InChIInChI=1S/C9H11BrN2O2S/c10-9-3-1-2-7-6-12(15(11,13)14)5-4-8(7)9/h1-3H,4-6H2,(H2,11,13,14)
InChIKeyKJYCLKOXGINTTK-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.01
Rot. Bonds1

About 5-bromo-3,4-dihydro-1H-isoquinoline-2-sulfonamide

5-bromo-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 128958622) has the molecular formula C9H11BrN2O2S and a molecular weight of 291.17 g/mol. Its IUPAC name is 5-bromo-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID128958622
Molecular FormulaC9H11BrN2O2S
Molecular Weight291.17 g/mol
Exact Mass289.97
IUPAC Name5-bromo-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESNS(=O)(=O)N1CCc2c(Br)cccc2C1
InChIInChI=1S/C9H11BrN2O2S/c10-9-3-1-2-7-6-12(15(11,13)14)5-4-8(7)9/h1-3H,4-6H2,(H2,11,13,14)
InChIKeyKJYCLKOXGINTTK-UHFFFAOYSA-N
XLogP1.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-3,4-dihydro-1H-isoquinoline-2-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 5-bromo-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of 5-bromo-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 128958622) is 5-bromo-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for 5-bromo-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for 5-bromo-3,4-dihydro-1H-isoquinoline-2-sulfonamide is NS(=O)(=O)N1CCc2c(Br)cccc2C1.
What is the InChIKey of 5-bromo-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is KJYCLKOXGINTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2S/c10-9-3-1-2-7-6-12(15(11,13)14)5-4-8(7)9/h1-3H,4-6H2,(H2,11,13,14).
What are the key properties of 5-bromo-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
5-bromo-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 291.17 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 128958622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).