1-bromo-N-isoquinolin-8-ylmethanesulfonamide

C10H9BrN2O2S — CID 83085582

IUPAC1-bromo-N-isoquinolin-8-ylmethanesulfonamide
SMILESO=S(=O)(CBr)Nc1cccc2ccncc12
InChIInChI=1S/C10H9BrN2O2S/c11-7-16(14,15)13-10-3-1-2-8-4-5-12-6-9(8)10/h1-6,13H,7H2
InChIKeyOVGXHAPLIOOKDF-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.33
Rot. Bonds3

About 1-bromo-N-isoquinolin-8-ylmethanesulfonamide

1-bromo-N-isoquinolin-8-ylmethanesulfonamide (PubChem CID 83085582) has the molecular formula C10H9BrN2O2S and a molecular weight of 301.17 g/mol. Its IUPAC name is 1-bromo-N-isoquinolin-8-ylmethanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-isoquinolin-8-ylmethanesulfonamide
PubChem CID83085582
Molecular FormulaC10H9BrN2O2S
Molecular Weight301.17 g/mol
Exact Mass299.96
IUPAC Name1-bromo-N-isoquinolin-8-ylmethanesulfonamide
SMILESO=S(=O)(CBr)Nc1cccc2ccncc12
InChIInChI=1S/C10H9BrN2O2S/c11-7-16(14,15)13-10-3-1-2-8-4-5-12-6-9(8)10/h1-6,13H,7H2
InChIKeyOVGXHAPLIOOKDF-UHFFFAOYSA-N
XLogP2.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107595287
isoquinolin-8-ylurea
CID 67363282
N-(2-methylphenyl)isoquinoline-8-sulfonamide
CID 167968996
N-propylisoquinolin-8-amine
CID 54033424
2,2,2-trichloro-N-isoquinolin-8-ylacetamide
CID 22032621
N-(5-bromo-3-pyridinyl)isoquinolin-8-amine
CID 104531874
1-bromo-N-[2-(triazol-1-yl)phenyl]methanesulfonamide
CID 83084408
N'-tert-butyl-N-isoquinolin-8-ylethane-1,2-diamine
CID 107445864
isoquinolin-8-ylmethanesulfonyl chloride
CID 84702854
N-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide
CID 103747528
isoquinolin-8-ol
CID 135441711
N-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine
CID 113268291

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-isoquinolin-8-ylmethanesulfonamide?
The IUPAC name of 1-bromo-N-isoquinolin-8-ylmethanesulfonamide (CID 83085582) is 1-bromo-N-isoquinolin-8-ylmethanesulfonamide.
What is the SMILES notation for 1-bromo-N-isoquinolin-8-ylmethanesulfonamide?
The canonical SMILES for 1-bromo-N-isoquinolin-8-ylmethanesulfonamide is O=S(=O)(CBr)Nc1cccc2ccncc12.
What is the InChIKey of 1-bromo-N-isoquinolin-8-ylmethanesulfonamide?
The InChIKey is OVGXHAPLIOOKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S/c11-7-16(14,15)13-10-3-1-2-8-4-5-12-6-9(8)10/h1-6,13H,7H2.
What are the key properties of 1-bromo-N-isoquinolin-8-ylmethanesulfonamide?
1-bromo-N-isoquinolin-8-ylmethanesulfonamide has a molecular weight of 301.17 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-isoquinolin-8-ylmethanesulfonamide is sourced from PubChem (CID 83085582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).